@comment PKG_FORMAT_REVISION:1.1
@name tinker-6.2.06_1
@comment ORIGIN:biology/tinker
@cwd /usr/local
@pkgdep gmp-5.1.2
@comment DEPORIGIN:math/gmp
@pkgdep mpfr-3.1.2
@comment DEPORIGIN:math/mpfr
@pkgdep mpc-0.9
@comment DEPORIGIN:math/mpc
@pkgdep gcc-ecj-4.5
@comment DEPORIGIN:lang/gcc-ecj45
@pkgdep libiconv-1.14_1
@comment DEPORIGIN:converters/libiconv
@pkgdep gettext-0.18.3
@comment DEPORIGIN:devel/gettext
@pkgdep binutils-2.23.2
@comment DEPORIGIN:devel/binutils
@pkgdep gcc-4.6.3
@comment DEPORIGIN:lang/gcc
bin/alchemy
@comment MD5:272de9664cd2202007654c645fef8012
bin/analyze
@comment MD5:b9ac558ca415253f271af7e427b33476
bin/anneal
@comment MD5:18f64c32346bc014f09d472fc55deaa6
bin/archive
@comment MD5:961dfdaa5c4998c5e9af68cf341f6678
bin/bar
@comment MD5:8d0d1e965d9db9b00cde9b4173fd8fd3
bin/correlate
@comment MD5:96c900386d66b00d5dd189b445324e8e
bin/crystal
@comment MD5:a34f8458f6f75a1f93bb8951c9b01413
bin/diffuse
@comment MD5:be75b487c397c9cd470c1776c3cada7d
bin/distgeom
@comment MD5:de9af2ad412a9defc758e8ce80ef8e3e
bin/document
@comment MD5:20d6fea1a9e33b8a4da712381bbf8cfb
bin/dynamic
@comment MD5:a8db712404b7e20f1ab5a6c517edbaf8
bin/gda
@comment MD5:d79135d7b8a5c2cc6c80eba112d76f3a
bin/intedit
@comment MD5:90727199c507108a5906023254b0a429
bin/intxyz
@comment MD5:549b8a0b0a72129e6814b24dd2b534e7
bin/minimize
@comment MD5:a55254a063d0f8ea3dc8361090e6fb25
bin/minirot
@comment MD5:720f0cd1461229bd938975956511fb49
bin/minrigid
@comment MD5:022da6bf2bc229af4ee7d48aa0d71a7e
bin/molxyz
@comment MD5:9753d59d6e2709d306bc025cd6f6be24
bin/monte
@comment MD5:30554bf857394571c1315b81074a9a36
bin/newton
@comment MD5:1f245780684a93d3a3ad86bcbc6811b9
bin/newtrot
@comment MD5:357ccee587af6f92121d0296b43a1fbe
bin/nucleic
@comment MD5:762fa420fa6e33d1d8c24c717b39a151
bin/optimize
@comment MD5:4fc0145dce2a8adedc8a0ba4a23420ad
bin/optirot
@comment MD5:79ed222d124f9d224bc0069c03007a8f
bin/optrigid
@comment MD5:47f7180640edf005b85d579e9f0a354b
bin/path
@comment MD5:57acddb441b067f67f942057da956faa
bin/pdbxyz
@comment MD5:703c0440f7af47936ddbd2b7a190f16b
bin/polarize
@comment MD5:c576ec3692b003d54f3b7427e71030fb
bin/poledit
@comment MD5:96655a9f3471dac2500575a422e7fa09
bin/potential
@comment MD5:577d8e6e9da36a8628f2ae112730c1bf
bin/prmedit
@comment MD5:3e9e2e06b8a8d772a08e2dabeae656fd
bin/protein
@comment MD5:0178b8cb223539e0a94c7064e6446511
bin/pss
@comment MD5:45bdcb81186a80cec89c4d33fb8dad07
bin/pssrigid
@comment MD5:23eec0aad46534d8f8512c7dfcd47001
bin/pssrot
@comment MD5:65e006f76ae0ee2d4367da06c147ed2d
bin/radial
@comment MD5:ebe2397142ec9411f16e82e3b934f585
bin/saddle
@comment MD5:cbeeebce234834832e6229320141033e
bin/scan
@comment MD5:e28c4bb92570e29aedd809cd6b2553e1
bin/sniffer
@comment MD5:76e5f745b7996b6b29a6441447b9d6ac
bin/spacefill
@comment MD5:e2954d4310ba7d775dce4534d8832d1b
bin/spectrum
@comment MD5:a77317714014b3c4ba5a54877ee527c8
bin/superpose
@comment MD5:33d68294d1a5b340b4b86b9bba33ee33
bin/sybylxyz
@comment MD5:8b40a329c1734cde373bbdd27ddf61a5
bin/testgrad
@comment MD5:a83014fe645e98999075189c6df00551
bin/testhess
@comment MD5:ce310f713632093972924a1d92340900
bin/testpair
@comment MD5:dd049d1508f899c66827a64bf1820c9c
bin/testpol
@comment MD5:bae5e2164dc28da90e7a2b22cd3f7bca
bin/testrot
@comment MD5:430ea7da3883f36802d682400958f716
bin/timer
@comment MD5:d0a936abef933029d2a9d14cbcd2b5f2
bin/timerot
@comment MD5:7d37a71b8613500277eec34e743eef6e
bin/torsfit
@comment MD5:31fe985da6527126707cff3b232cbda3
bin/valence
@comment MD5:9b8d54ba93659aa6617679b5b83e03e2
bin/vibbig
@comment MD5:cdc4788c9fc67ab1f15ac18a4169f258
bin/vibrate
@comment MD5:e7835f63b77d1065f9f3a6e849264b4b
bin/vibrot
@comment MD5:4d2cb9cb043302becb84f0391200dbed
bin/xtalfit
@comment MD5:8caa89bf583e45e5430374a34abefa7d
bin/xtalmin
@comment MD5:39cc1306673b7679a750c9b9359a9b89
bin/xyzedit
@comment MD5:5c6164c1ee58e6c8fd91806c385006bd
bin/xyzint
@comment MD5:8e6a2e5536b74d41f8df983f7a8e2c3c
bin/xyzpdb
@comment MD5:7dbc099b1583f995bb84e5a336235c64
bin/xyzsybyl
@comment MD5:d5ad91a6c6e461ce9439427bdacb25be
share/doc/tinker/0README
@comment MD5:f9b6dff4c073a40c7f6d787d91aa613c
share/doc/tinker/ffe-guide.pdf
@comment MD5:394c9051a4101179559f7ab48dca5906
share/doc/tinker/guide.pdf
@comment MD5:c261bbb367591acf5e70cc688505c347
share/doc/tinker/license.pdf
@comment MD5:c6e17911428a94a61361bb8176cdbc9a
share/doc/tinker/license.txt
@comment MD5:d1bf6f2f4e2e76aea44de083db25dd28
share/doc/tinker/summary.pdf
@comment MD5:a62b60e1a0a9bc61d4635bdcf1ab1c26
share/doc/tinker/summary.txt
@comment MD5:a8492783f873a59dec0850d0568f758e
share/examples/tinker/0README
@comment MD5:1fb03410dddfb4b92bc38fe64c1664e6
share/examples/tinker/alatet.int
@comment MD5:dac74f33c6729a00d8a734b5499a0ac7
share/examples/tinker/alatet.key
@comment MD5:7d838e363deccd60edabd0bf31a5c22a
share/examples/tinker/alatet.seq
@comment MD5:d7c0af81139e5eeac1cd284f8293fb14
share/examples/tinker/alatet.xyz
@comment MD5:92296892bf2942865f358f18c66f325f
share/examples/tinker/alkane.key
@comment MD5:fa29f855eaef4d5376bac1ab0a2770f4
share/examples/tinker/alkane.xyz
@comment MD5:e530265653a286cf7c91551e4fe3cd76
share/examples/tinker/ammonia.key
@comment MD5:f8050c0cbc98d066b667f902fd185819
share/examples/tinker/ammonia.xyz
@comment MD5:cf585d9bcd876fec2bc69fdcf02152db
share/examples/tinker/amoeba.key
@comment MD5:568f5067afd52bf4078905917da558d5
share/examples/tinker/amoeba.xyz
@comment MD5:5455438046b0f11a74fd0ecc864954f7
share/examples/tinker/arach.int
@comment MD5:0eacd295924d5695e32ebd7e2769c388
share/examples/tinker/arach.key
@comment MD5:b9505f53e69bf3ff370e673d4bc7e6fd
share/examples/tinker/arach.xyz
@comment MD5:373a74bd92b4d3526ea13fc63724d87c
share/examples/tinker/azulene.int
@comment MD5:b0097180bc0155b4c3aa6285efa1c145
share/examples/tinker/azulene.key
@comment MD5:83d1e06709b83f82e051b1e1bb3e0b65
share/examples/tinker/azulene.xyz
@comment MD5:9fbe75afacba56e2a1afaa88430f91a9
share/examples/tinker/bdna.int
@comment MD5:094256acf34d133429d16b0afc8f672d
share/examples/tinker/bdna.key
@comment MD5:0d7e24ac8ffef7dd21aab5c39f2103f6
share/examples/tinker/bdna.make
@comment MD5:7aaba07f37d415e6f51dc1ff63b624ec
share/examples/tinker/bdna.pdb
@comment MD5:90a6ad790ed06aab684327d4f27d72a3
share/examples/tinker/bdna.seq
@comment MD5:da00befb254d9379e7ca0c46322c6ddf
share/examples/tinker/bdna.xyz
@comment MD5:f439d859262356652fae841e94c33024
share/examples/tinker/bearing.key
@comment MD5:6f9766ec71825594ae31b9f847764a3c
share/examples/tinker/bearing.xyz
@comment MD5:35e59f8ba09a79b1493f2722ce6c39ed
share/examples/tinker/bearing2.key
@comment MD5:6f9766ec71825594ae31b9f847764a3c
share/examples/tinker/benzamidine.key
@comment MD5:db895744f97be0fa866dba5324df4654
share/examples/tinker/benzamidine.xyz
@comment MD5:54c2a94a382f73c27c7b705ee1007886
share/examples/tinker/benzbox.key
@comment MD5:3ca8e18b0d7f249df35ef4132ba5e5cf
share/examples/tinker/benzbox.xyz
@comment MD5:11161015244b72c49f0bb450e2b9b616
share/examples/tinker/benzene.int
@comment MD5:a7adfb67efa4c76fd9e76fdeea4ad9be
share/examples/tinker/benzene.key
@comment MD5:4ebd4e5f38760d86ef3199e342c0c7f8
share/examples/tinker/benzene.xyz
@comment MD5:8de7c84a590fc33bb9b9f8149fec520a
share/examples/tinker/book.key
@comment MD5:568f5067afd52bf4078905917da558d5
share/examples/tinker/book.xyz
@comment MD5:983a03b525d4c524336934db88c0c185
share/examples/tinker/bowl.int
@comment MD5:e151990b3328fe43e0ce9fa1a55127da
share/examples/tinker/bowl.key
@comment MD5:1b38f08e3f4080496ec711a9b8c0180b
share/examples/tinker/bowl.xyz
@comment MD5:db0da9c71b1f75f5475b8d9d22a63da9
share/examples/tinker/bowl2.key
@comment MD5:1b38f08e3f4080496ec711a9b8c0180b
share/examples/tinker/bowl2.xyz
@comment MD5:eb0b4357f9ab75b8ae0c2f7dbea97ad1
share/examples/tinker/bowl3.key
@comment MD5:36292f96169ca277533aa6df286a272f
share/examples/tinker/bowl3.xyz
@comment MD5:bf0cacb00e6929691391d84d6abfd1bd
share/examples/tinker/bucky.int
@comment MD5:4321c909b27d3d91169cfebb9129d8df
share/examples/tinker/bucky.key
@comment MD5:56127f7dfd548d5db3cebd45b6b74cde
share/examples/tinker/bucky.xyz
@comment MD5:59ec8b9650cfd79bec1d55cc718a5b01
share/examples/tinker/butane.int
@comment MD5:5a91841029692000303588e52dabf4ae
share/examples/tinker/butane.key
@comment MD5:08ead3750b425c8264a0b514c0769b8a
share/examples/tinker/butane.xyz
@comment MD5:a95ffb561f3f5bcb68655e79c8dd42a7
share/examples/tinker/butane2.int
@comment MD5:10924a2bb689c552c765c426112a514e
share/examples/tinker/butane2.key
@comment MD5:08ead3750b425c8264a0b514c0769b8a
share/examples/tinker/butane2.xyz
@comment MD5:322bb6823645d43bf7b3095b34854cdb
share/examples/tinker/butanes.dyn
@comment MD5:f4013be02cf679c1076a0f3c0dd5d193
share/examples/tinker/butanes.key
@comment MD5:3d21b4f42a846b564321a2acb579ad8f
share/examples/tinker/butanes.xyz
@comment MD5:1dfb21061d2461537482dca82a888d3f
share/examples/tinker/butanex.key
@comment MD5:d367154ee6df7ef654dac65bbfd2a91c
share/examples/tinker/butanex.xyz
@comment MD5:9b02ad94d4d89befbd55cbe172498e06
share/examples/tinker/butopls.int
@comment MD5:389609f5dbf59cb9b23b9f950616c869
share/examples/tinker/butopls.key
@comment MD5:93fbd2fad6939be11fbbfe6380ccd0f7
share/examples/tinker/butopls.xyz
@comment MD5:28e4b4c788971eaede6ec9e372ae5fb4
share/examples/tinker/butopls2.int
@comment MD5:6ca9329d08314dc3addc667e24af29b3
share/examples/tinker/butopls2.key
@comment MD5:769c0f1db542f86bf910461f4513cb50
share/examples/tinker/butopls2.xyz
@comment MD5:84836085f6575b44bb96b8982a9cadc0
share/examples/tinker/c5.int
@comment MD5:f50fe9221330579c022ce42474231efb
share/examples/tinker/c5.key
@comment MD5:73b3924ec600fe2ac9681c4a66e17534
share/examples/tinker/c5.seq
@comment MD5:ffeed9ad2ef652b6ce5ae52b31f30651
share/examples/tinker/c5.xyz
@comment MD5:b825763517829d82b0b899fdebfcdf3c
share/examples/tinker/c7a.int
@comment MD5:88dde87bbbf9d398c9ac901cd6e537dc
share/examples/tinker/c7a.key
@comment MD5:73b3924ec600fe2ac9681c4a66e17534
share/examples/tinker/c7a.seq
@comment MD5:ffeed9ad2ef652b6ce5ae52b31f30651
share/examples/tinker/c7a.xyz
@comment MD5:71a0e0f59e1a8f08d75ffbe80abbe716
share/examples/tinker/c7e.int
@comment MD5:53736803efcd834d40dba382a05d6bf9
share/examples/tinker/c7e.key
@comment MD5:73b3924ec600fe2ac9681c4a66e17534
share/examples/tinker/c7e.seq
@comment MD5:ffeed9ad2ef652b6ce5ae52b31f30651
share/examples/tinker/c7e.xyz
@comment MD5:75300984d70231906d16146da660242d
share/examples/tinker/cage.key
@comment MD5:568f5067afd52bf4078905917da558d5
share/examples/tinker/cage.xyz
@comment MD5:99e6881395631e7297e3f0699046d1ac
share/examples/tinker/calmodulin.key
@comment MD5:d0a41ca813355ed08474b09cac0c690a
share/examples/tinker/calmodulin.pdb
@comment MD5:eb9e47fdbd96b61c0e40d493a13f576c
share/examples/tinker/calmodulin.seq
@comment MD5:51bf3cba3f9e0210d25d8b0516c1d857
share/examples/tinker/calmodulin.xyz
@comment MD5:a806c1d9c49051c11a42277b6313a424
share/examples/tinker/cawater.key
@comment MD5:db895744f97be0fa866dba5324df4654
share/examples/tinker/cawater.xyz
@comment MD5:ea7852c0717b3db5aedf31d54b541e54
share/examples/tinker/cln025.key
@comment MD5:4ba21c519eeb556d93dc494e32889dd5
share/examples/tinker/cln025.make
@comment MD5:eb57f8762efd9a16721b553d71395c9e
share/examples/tinker/cln025.pdb
@comment MD5:b7903aa2188a388dd2a05053cb329f4f
share/examples/tinker/cln025.seq
@comment MD5:6da4a6df133a712ab2930a13c803d364
share/examples/tinker/cln025.xyz
@comment MD5:8640b00622700273d9ff81e947aaa19c
share/examples/tinker/copper.key
@comment MD5:cc1fac4032f9dd0692b39e3f73930120
share/examples/tinker/copper.xyz
@comment MD5:f2b8efc964735c5d8f602bb468f16a07
share/examples/tinker/cpentene.key
@comment MD5:9d94698e00a5eaca914d91bfc54ee1e8
share/examples/tinker/cpentene.xyz
@comment MD5:50d0f22aed00551ba48b0f8054f17e15
share/examples/tinker/crambin.dyn
@comment MD5:c1e86c66a47263c47dc5f50612007239
share/examples/tinker/crambin.key
@comment MD5:2e56efe47d189a1244a3b632aa4a198f
share/examples/tinker/crambin.pdb
@comment MD5:9b86cdc3fc065fb8bbb1f7d0bde52ec4
share/examples/tinker/crambin.seq
@comment MD5:cb7b21ea521a10c113902df9003a2070
share/examples/tinker/crambin.xyz
@comment MD5:9f0679ff261c2f20c8a4fddcaf32a5e0
share/examples/tinker/crambinx.key
@comment MD5:b874c45b0ad36502cb43942c61718196
share/examples/tinker/crambinx.xyz
@comment MD5:a9b7559760c4866475695146623c7e5f
share/examples/tinker/crown.int
@comment MD5:1f8b7a83e48d8fd0072c766fea3d69af
share/examples/tinker/crown.key
@comment MD5:245ff55b355e0d4516f8ac2ac80b6fb9
share/examples/tinker/crown.xyz
@comment MD5:4742f4821fed856524ddf97028f1cec0
share/examples/tinker/cychept.int
@comment MD5:d674918e069d95095913cde92c24c2c6
share/examples/tinker/cychept.key
@comment MD5:9bd88a24287881dbb00e5313287c4c31
share/examples/tinker/cychept.xyz
@comment MD5:b5bfead0dc3281a3fb076ec364d59040
share/examples/tinker/cyclo.int
@comment MD5:0f8e7717bdfb2ea80fc60b99ac05948d
share/examples/tinker/cyclo.key
@comment MD5:14d5158ab98b9f7427e127b6af71aa5c
share/examples/tinker/cyclo.xyz
@comment MD5:dad4fcc716add592e27fb1712952fad0
share/examples/tinker/cyclo2.int
@comment MD5:50be4cf104ae4207d3e3841452ce2aac
share/examples/tinker/cyclo2.key
@comment MD5:35afdbbf72f7c34a080205c41301c2b1
share/examples/tinker/cyclo2.xyz
@comment MD5:7e3f5f1c01e893b51caae727e3c7f21f
share/examples/tinker/cycprop.key
@comment MD5:460891721781389dcff747758b9121ab
share/examples/tinker/cycprop.xyz
@comment MD5:77d4ab6118c1cffa66d3b569b86d7fc1
share/examples/tinker/dang.key
@comment MD5:b9fb8869034e7aa69fa2beeb5ff32624
share/examples/tinker/dang.xyz
@comment MD5:1fcadc244c6e558467e600dd57a86796
share/examples/tinker/deltorphin.int
@comment MD5:3ed834bd9fc464d4f78d6d9615165af9
share/examples/tinker/deltorphin.key
@comment MD5:57c36ffd72b4ad98536c4c4bf5f24f4e
share/examples/tinker/deltorphin.make
@comment MD5:8c0883452b1c0395dee4ba7776059a1d
share/examples/tinker/deltorphin.seq
@comment MD5:a9e3b5e90dc20b91d251c87f095025b7
share/examples/tinker/deltorphin.xyz
@comment MD5:d0e65b1f49a0e93e6a8f660bd8c0a61b
share/examples/tinker/dhfr.key
@comment MD5:b0e608038e096ee31bd780b055bd938c
share/examples/tinker/dhfr.pdb
@comment MD5:afe8bbc378e37ce4c2737ca9dfd73006
share/examples/tinker/dhfr.seq
@comment MD5:e6f5568e39e83122454d1968efad2363
share/examples/tinker/dhfr.xyz
@comment MD5:93362d517be3e4281762949335c93a95
share/examples/tinker/dhfr2.key
@comment MD5:32b7716e0816bb45b057f06d8d6f67c4
share/examples/tinker/dhfr2.seq
@comment MD5:e6f5568e39e83122454d1968efad2363
share/examples/tinker/dhfr2.xyz
@comment MD5:74342fee1f6d587865bddac3617e6c4d
share/examples/tinker/diamond.key
@comment MD5:873f3e928a76419d2e1bd0208c94e825
share/examples/tinker/diamond.xyz
@comment MD5:44cf77567c218eaba395c3a04eb1f500
share/examples/tinker/diene.int
@comment MD5:b0a4c6cb0f99de1c12df2f69543c5846
share/examples/tinker/diene.key
@comment MD5:88455a76c5ef366326fe8cee5c039b97
share/examples/tinker/diene.xyz
@comment MD5:0cf5053a8c7d1da07d8c1236f17070aa
share/examples/tinker/dimethane.key
@comment MD5:e3835a78e4e7a6537c4f9880299788f2
share/examples/tinker/dimethane.xyz
@comment MD5:24e7fc9faa3e4e662ca403bbf10ab971
share/examples/tinker/dmp.key
@comment MD5:1e15411c3ea783935c5abfd0c8b1dab9
share/examples/tinker/dmp.xyz
@comment MD5:cbfaa8de37c2603387ed96d635a55452
share/examples/tinker/enkephalin.int
@comment MD5:7d9ef33cabb5afed0dcc594e8563593e
share/examples/tinker/enkephalin.key
@comment MD5:4654bd2eb59b4a8e1c32e00bae9de2ba
share/examples/tinker/enkephalin.make
@comment MD5:92e709092d72e97bde70c2fbfcc51397
share/examples/tinker/enkephalin.seq
@comment MD5:e71a260d6c975b7b25ee81f19a28fdd1
share/examples/tinker/enkephalin.xyz
@comment MD5:cd3984ae1ad27d7e52b8f9c7a53a9e0e
share/examples/tinker/ermer.int
@comment MD5:dea2fde6237801e4964fc528b335ef01
share/examples/tinker/ermer.key
@comment MD5:78a6201907598df31d8e0f474e34bb5c
share/examples/tinker/ermer.xyz
@comment MD5:0d9fec99a4ca496db91fbfa6d2363081
share/examples/tinker/ester.key
@comment MD5:ddb9b75358ba1e135be5287a992e9016
share/examples/tinker/ester.xyz
@comment MD5:572d0a6af60f257deee4b6fa0590c147
share/examples/tinker/ethane.int
@comment MD5:39a0f484b3b446cadd34abfecde6e7bd
share/examples/tinker/ethane.key
@comment MD5:6215eeb21463a0e0333301c275694361
share/examples/tinker/ethane.xyz
@comment MD5:a0e13c2c5851f7b61218346ee690d6a2
share/examples/tinker/ethanol.int
@comment MD5:47e432925f0d223bb8cb55337bbc9410
share/examples/tinker/ethanol.key
@comment MD5:9d94698e00a5eaca914d91bfc54ee1e8
share/examples/tinker/ethanol.xyz
@comment MD5:93f69833f742dfe9d3141f8ba231a521
share/examples/tinker/ether.key
@comment MD5:db895744f97be0fa866dba5324df4654
share/examples/tinker/ether.xyz
@comment MD5:98f996f5a28e573692ffbab9f1401bee
share/examples/tinker/etherbox.dyn
@comment MD5:4a70d57165415920eb43050a0384308e
share/examples/tinker/etherbox.key
@comment MD5:6f8b3a55e7e1b05bae2f97f721ac363d
share/examples/tinker/etherbox.xyz
@comment MD5:034ba7d5401224ac1873dfc5fdf8959d
share/examples/tinker/ethylene.int
@comment MD5:d4e9aaa928c2706010db1b2e1eac99d0
share/examples/tinker/ethylene.key
@comment MD5:1ba786728063e3b5370cd555441d1f02
share/examples/tinker/ethylene.xyz
@comment MD5:9dcf414b92c5bcbc44d5227a915b3250
share/examples/tinker/flane.int
@comment MD5:b8249f411bd6182bb28a6127ff9ea8d4
share/examples/tinker/flane.key
@comment MD5:460891721781389dcff747758b9121ab
share/examples/tinker/flane.xyz
@comment MD5:5675a7cd368b972a4e3edf1069684f56
share/examples/tinker/form.key
@comment MD5:f4bffe6b3798c9899e26221814bf1839
share/examples/tinker/form.xyz
@comment MD5:997240ca51434a3234cd4c34328a5541
share/examples/tinker/formbig.key
@comment MD5:64194886f4fb4ae967c0e123ba684b83
share/examples/tinker/formbig.xyz
@comment MD5:6e9da56d38eaa65ab8985e40d9fa4061
share/examples/tinker/formbox.dyn
@comment MD5:c375360837e11d3b80ddb5f4b9b65e25
share/examples/tinker/formbox.key
@comment MD5:ba402f16328322bdb43eed1db35c3b7d
share/examples/tinker/formbox.xyz
@comment MD5:69eaeedbe32b2944f168048c376fedf7
share/examples/tinker/formopls.dyn
@comment MD5:5bbc6ce32814406ec83e515103231ed7
share/examples/tinker/formopls.key
@comment MD5:28278bf361a4f8ad42559119bdf8819e
share/examples/tinker/formopls.xyz
@comment MD5:adefa4353d9239c97685235c67685729
share/examples/tinker/furan.int
@comment MD5:33b3fb954cd87634f59e064bd75986de
share/examples/tinker/furan.key
@comment MD5:c967c23acbdf6fd5441d5277bf092476
share/examples/tinker/furan.xyz
@comment MD5:2c22d183c7be32d1722062566311e0c0
share/examples/tinker/glucose.key
@comment MD5:dd011576784391fc6c10a1f3679bcf7a
share/examples/tinker/glucose.xyz
@comment MD5:881f30fb0d918aa5ab7836e3c9016d7a
share/examples/tinker/glycerol.dyn
@comment MD5:8d99db2aabc3118def39db1de414b2b2
share/examples/tinker/glycerol.key
@comment MD5:85da8d0737430899a741352eb9cee097
share/examples/tinker/glycerol.xyz
@comment MD5:f053be3af04f6fa3d8f7a10f2d4c1491
share/examples/tinker/graphite.key
@comment MD5:2980d54bd37d8d564db10993a145d77c
share/examples/tinker/graphite.xyz
@comment MD5:8ab64c495a1d6a9b9b70826d7655a583
share/examples/tinker/helix.dyn
@comment MD5:50f5a88832886112047cfd68255a0488
share/examples/tinker/helix.key
@comment MD5:c7f67d20892b4265b32e4b712971aa5f
share/examples/tinker/helix.xyz
@comment MD5:42128879ae4b49326400b6f7a35d2c07
share/examples/tinker/heme.key
@comment MD5:c32e460bb33163108452ad6c8e953810
share/examples/tinker/heme.xyz
@comment MD5:53d1b4f3f6567f3bc0545d2ce1b55aff
share/examples/tinker/hexane.int
@comment MD5:18ff2ea4b80090f019d232ee3437a8b1
share/examples/tinker/hexane.key
@comment MD5:5be1210e7c7aed1a5d945c362fc82747
share/examples/tinker/hexane.xyz
@comment MD5:8198f8953f1d0be050df573c395564da
share/examples/tinker/hexanes.dyn
@comment MD5:795b2f5b4a74cfeb9498670fdbb228dd
share/examples/tinker/hexanes.key
@comment MD5:46583ae8e035be86ed0ffac6c2a7b0d0
share/examples/tinker/hexanes.xyz
@comment MD5:8a28733584fcaf1c9656463bf98cc8bb
share/examples/tinker/iamoeba.key
@comment MD5:80c7ebba3f12f425470148c321e1faef
share/examples/tinker/iamoeba.xyz
@comment MD5:34bb97816543b179c48c715c434bbf6c
share/examples/tinker/imidazole.int
@comment MD5:0e2cb74c474412327da0c51ad1a38f31
share/examples/tinker/imidazole.key
@comment MD5:31ba201152c9bad825c94a319eeafb4e
share/examples/tinker/imidazole.xyz
@comment MD5:c268025ca32f88fbf3cf29eefafff172
share/examples/tinker/imine.int
@comment MD5:faca6a09f3c9d01eb794b60221afb891
share/examples/tinker/imine.key
@comment MD5:be805ef7467c9e7259118a6c8a3a2835
share/examples/tinker/imine.xyz
@comment MD5:58f4b84629cb3932c95df1831a8e0d9d
share/examples/tinker/indole.key
@comment MD5:db895744f97be0fa866dba5324df4654
share/examples/tinker/indole.xyz
@comment MD5:a803523e334ef05f0cd82bc3db3a71b2
share/examples/tinker/lactam.key
@comment MD5:674469cebcfe6000b8f6cfb23617a5cd
share/examples/tinker/lactam.xyz
@comment MD5:84ebdad63bf2fdcc1d4b4fc52c035103
share/examples/tinker/lipid.key
@comment MD5:f96cb3343d8ecafa9e7532ff4896e1f9
share/examples/tinker/lipid.xyz
@comment MD5:8786030ba9fd00c3c6bdc5489a4f070d
share/examples/tinker/lj38.key
@comment MD5:bfdd26cd54b7183f6de268968a736e82
share/examples/tinker/lj38.xyz
@comment MD5:7cbc70cc7bafd0091e5938cca3c2523a
share/examples/tinker/melittin.key
@comment MD5:0d7e24ac8ffef7dd21aab5c39f2103f6
share/examples/tinker/melittin.pdb
@comment MD5:5d2d31e24966a1a65f0372c66ea1b1fa
share/examples/tinker/melittin.seq
@comment MD5:369403527c8dae31ea78268227389ea7
share/examples/tinker/melittin.xyz
@comment MD5:9ea6102c609709e8c632a5f754d7d019
share/examples/tinker/membrane.key
@comment MD5:9059463b90f3d1878ee6253340723a28
share/examples/tinker/membrane.xyz
@comment MD5:6105dcc51f67b2767d2125fb188a4e14
share/examples/tinker/meohbox.key
@comment MD5:0883195f93d2a39a7f4a67598f6cc875
share/examples/tinker/meohbox.xyz
@comment MD5:9ff014cea325cdf4907a24e74d70f7ac
share/examples/tinker/methane.int
@comment MD5:c9a1cec7ff8abaf0a19394cad614956f
share/examples/tinker/methane.key
@comment MD5:14173f415b341570525c00ddb79f2ad7
share/examples/tinker/methane.xyz
@comment MD5:034173f147c214c5cb99513a3d84a567
share/examples/tinker/methanol.key
@comment MD5:181b4dd3c3f1ff90e8bb581b0d262f41
share/examples/tinker/methanol.xyz
@comment MD5:6fdbe2193b6643a3631ce0498885a167
share/examples/tinker/mgwater.key
@comment MD5:db895744f97be0fa866dba5324df4654
share/examples/tinker/mgwater.xyz
@comment MD5:a7d6908cabb797c2157755a48b680b5f
share/examples/tinker/mm3.key
@comment MD5:d356f9536eb865e981b4df8bd822d097
share/examples/tinker/mm3.xyz
@comment MD5:d256b8b12ab4035e1b3026797ad9df2d
share/examples/tinker/nacl.key
@comment MD5:6bd10c21d399d840d6d56671ec151462
share/examples/tinker/nacl.xyz
@comment MD5:010489598e0e094f3c7148b5b1c6e120
share/examples/tinker/nada.key
@comment MD5:b6490a4c2fb15942f6d73fbb1eb7d3c5
share/examples/tinker/nada.xyz
@comment MD5:7922111c5b8b2a62b393358b3bb69aae
share/examples/tinker/naphthalene.int
@comment MD5:6ae0ea1d20f777dd80e5f6b285a8573b
share/examples/tinker/naphthalene.key
@comment MD5:c6e4807099e2e98e96775f9268adc261
share/examples/tinker/naphthalene.xyz
@comment MD5:dce90893b3102008d4afd44581dfaf70
share/examples/tinker/naphthax.frac
@comment MD5:2d46110137238a27fe5c3340566ca93f
share/examples/tinker/naphthax.key
@comment MD5:be27701779127e00c2050bc53fb8528d
share/examples/tinker/naphthax.xyz
@comment MD5:c01db2e3e6c724d4992c4d1f1021b1b6
share/examples/tinker/nitrile.key
@comment MD5:db895744f97be0fa866dba5324df4654
share/examples/tinker/nitrile.xyz
@comment MD5:eebc129bf66fc69a54b8b79b07b3201d
share/examples/tinker/nitrogen.dyn
@comment MD5:ab4d2110bb7d4a67921e9266bf800172
share/examples/tinker/nitrogen.key
@comment MD5:ef544b3a7c9ca5d3bb6f98ffde6aa802
share/examples/tinker/nitrogen.xyz
@comment MD5:fe579332948adb6c88c79eeef53422c4
share/examples/tinker/nma.int
@comment MD5:3ac68ad7a15395e4802c07f61c875700
share/examples/tinker/nma.key
@comment MD5:db895744f97be0fa866dba5324df4654
share/examples/tinker/nma.xyz
@comment MD5:82203e7212d9123888bb0f06bc4ca9b8
share/examples/tinker/nmabox.dyn
@comment MD5:9aa5b08e82f6eaee73fb21eaac06894e
share/examples/tinker/nmabox.key
@comment MD5:5b532af994d9b57ee6b3719d39a09feb
share/examples/tinker/nmabox.xyz
@comment MD5:73460653aaa601df5e6e8918c8d5f815
share/examples/tinker/nmf.key
@comment MD5:2cc26f764cc43708cad352d56d64ac7d
share/examples/tinker/nmf.xyz
@comment MD5:a75b4327aaf07c0c7f8513e6f773a9f9
share/examples/tinker/nstilbene.int
@comment MD5:20e1d7b6930d97115bfd5ce4f1a6275b
share/examples/tinker/nstilbene.key
@comment MD5:bc48007da5921294d6f6e6860c9bdaf6
share/examples/tinker/nstilbene.xyz
@comment MD5:2a4cd4a890aceb2451462c47e40c3622
share/examples/tinker/octane.int
@comment MD5:c948bffa5ac944728ade6d26eefb17c4
share/examples/tinker/octane.key
@comment MD5:b63c8b8a5c38c7c3cff1ec84f897cf0c
share/examples/tinker/octane.xyz
@comment MD5:6feaadf99ea721ad94a29e79686f55de
share/examples/tinker/octane2.int
@comment MD5:28f09af5f2ae5132fc960f5b201088c1
share/examples/tinker/octane2.key
@comment MD5:460891721781389dcff747758b9121ab
share/examples/tinker/octane2.xyz
@comment MD5:362911fb3635ba3593dfc87e48f4227a
share/examples/tinker/octene.dyn
@comment MD5:c5498d8496e4e8129c6c5fd366b1e72d
share/examples/tinker/octene.key
@comment MD5:460891721781389dcff747758b9121ab
share/examples/tinker/octene.xyz
@comment MD5:e72c0027b0e9aea750f38c0c3bfcf9bb
share/examples/tinker/palmitate.int
@comment MD5:b7789158b45a92db5a6653fa83cf6446
share/examples/tinker/palmitate.key
@comment MD5:4361a63b7c91c2b0469958c8d53ed1d8
share/examples/tinker/palmitate.xyz
@comment MD5:a0f3e2732e3bef4f60703ebebcd241fa
share/examples/tinker/pentane.frac
@comment MD5:be636ad29b3cfbc7b15d492bef3f5f13
share/examples/tinker/pentane.key
@comment MD5:8d50bfea69dcb5b928821b79449f6c5a
share/examples/tinker/pentane.xyz
@comment MD5:7f33e53db77742abb449c66c041237f9
share/examples/tinker/peptide.int
@comment MD5:82e8d66eaf0e63ab4dc226072e01da2c
share/examples/tinker/peptide.key
@comment MD5:c58000acdc3ebc43e83c4fbbd04c47a0
share/examples/tinker/peptide.make
@comment MD5:768736219690fdd7373d696b92972e29
share/examples/tinker/peptide.pdb
@comment MD5:88f13ed515cbe70b98827bdc5e541e7f
share/examples/tinker/peptide.seq
@comment MD5:f2633f1f306bcf05507411dae5c35d88
share/examples/tinker/peptide.xyz
@comment MD5:45a6c89acb93c3b01fb692b7968aecc3
share/examples/tinker/phenanth.key
@comment MD5:42cfe5f04226eaf4a81adafb56c70a6c
share/examples/tinker/phenanth.xyz
@comment MD5:55ee5623de7f112abc906e715a9d5a5b
share/examples/tinker/photo.key
@comment MD5:0e0fa37198fcbad39d888e57b3f858ae
share/examples/tinker/photo.pdb
@comment MD5:98a049810a6bd33488e02a268da371b3
share/examples/tinker/photo.seq
@comment MD5:1b481db02044b515b21b5f72ff924540
share/examples/tinker/photo.xyz
@comment MD5:02ab49ee9a79e67561aa87232b011a8d
share/examples/tinker/pol3.key
@comment MD5:306b8d1565779441c058a4b86f34c63e
share/examples/tinker/pol3.xyz
@comment MD5:7963591eeefbdb65b66e943623fe81bc
share/examples/tinker/polyala.key
@comment MD5:acad6cf1b8d1c4af70758ab826b53c5c
share/examples/tinker/polyala.xyz
@comment MD5:c84ee10c2a127630bb6e85b1e25d5456
share/examples/tinker/prism.key
@comment MD5:568f5067afd52bf4078905917da558d5
share/examples/tinker/prism.xyz
@comment MD5:8c8f96c60e1f3a4d06981950bd6a9041
share/examples/tinker/propane.key
@comment MD5:46629fd27f56bd28c5f7eea6bb6bdc10
share/examples/tinker/propane.xyz
@comment MD5:389fecfa2375c3cc2cc285d73c3dd5b6
share/examples/tinker/propellane.int
@comment MD5:77ff6292ee1f73334e35486e2908a3dd
share/examples/tinker/propellane.key
@comment MD5:fce616f3ab1b466f25c0b7db966dff52
share/examples/tinker/propellane.xyz
@comment MD5:aaff720b3361c711e3fe540866317c4f
share/examples/tinker/propyne.key
@comment MD5:9383517dcad6848418351f6f983dd9ac
share/examples/tinker/propyne.xyz
@comment MD5:a5478ae365e59683f72d2faf5e11051e
share/examples/tinker/pyridine.int
@comment MD5:d809287bafc79b15efe0e4a0b98d7d56
share/examples/tinker/pyridine.key
@comment MD5:61f7fa18e9e4b508b75e372acffd24d8
share/examples/tinker/pyridine.xyz
@comment MD5:39b72b38110120a857475fb28bda818d
share/examples/tinker/pyrrole.int
@comment MD5:4dabec84796dd1f47f3ca6829a3a2ecd
share/examples/tinker/pyrrole.key
@comment MD5:c6431a23ba891465e81fe22ac5876b43
share/examples/tinker/pyrrole.xyz
@comment MD5:45b1de54d790162ee4ea49dc94eeb853
share/examples/tinker/retinoic.key
@comment MD5:9134948cdda54d401718e59dbed0c8a7
share/examples/tinker/retinoic.xyz
@comment MD5:895c4d3cfd5d3316c2eb7e1aea2d0b22
share/examples/tinker/ring.key
@comment MD5:568f5067afd52bf4078905917da558d5
share/examples/tinker/ring.xyz
@comment MD5:7bdc16dce1dcd03f11887496b1f47517
share/examples/tinker/skunk.key
@comment MD5:df469ad738133477a6ee4d7bb0c14215
share/examples/tinker/skunk.xyz
@comment MD5:eae3338609e030a270e290e98a020473
share/examples/tinker/spc.key
@comment MD5:321e6ad60e24dab3f47a4cda85a9e5eb
share/examples/tinker/spc.xyz
@comment MD5:6b9f2f201c3cebca81107120ae66ac7a
share/examples/tinker/sterol.key
@comment MD5:460891721781389dcff747758b9121ab
share/examples/tinker/sterol.xyz
@comment MD5:fde91bb7c365402c92d37b72322009a7
share/examples/tinker/styrene.int
@comment MD5:fd8c546775647984ae4444b5df8499bb
share/examples/tinker/styrene.key
@comment MD5:4be2a45049455f1953bef6ad9fc9660a
share/examples/tinker/styrene.xyz
@comment MD5:9781b6012a395b0f9d221a8ace8d99cc
share/examples/tinker/terphenyl.key
@comment MD5:a7fe43e4ac216e5a3c3c4c8001158639
share/examples/tinker/terphenyl.xyz
@comment MD5:eedfbbf544fa7191968f07031e9cbc2a
share/examples/tinker/tfe.key
@comment MD5:c028399eafd1091d01be431b12329892
share/examples/tinker/tfe.xyz
@comment MD5:2a183f12638a3bc922b2b35a782b8e7a
share/examples/tinker/thiadiene.int
@comment MD5:0ea2667310b26880e5770b629201a08d
share/examples/tinker/thiadiene.key
@comment MD5:6b8cb7f1642dfc710e37bf3a3966ba66
share/examples/tinker/thiadiene.xyz
@comment MD5:3a401742d6f1b67452ba6bb4c373c828
share/examples/tinker/thiophene.int
@comment MD5:4ce39ea505b60a93729e36450317a84f
share/examples/tinker/thiophene.key
@comment MD5:7dfd4266024e361d12df798886c802c5
share/examples/tinker/thiophene.xyz
@comment MD5:a83bd652eb15c27fd772d3e9795c2d70
share/examples/tinker/thr.int
@comment MD5:c855b17efa910b5e05022abba2aa0ec4
share/examples/tinker/thr.key
@comment MD5:9d94698e00a5eaca914d91bfc54ee1e8
share/examples/tinker/thr.xyz
@comment MD5:be2bc29679d8b43192f9c10196a9a550
share/examples/tinker/tip3f.key
@comment MD5:f0cfbe1aaf0aa86f72d993d813a1817c
share/examples/tinker/tip3f.xyz
@comment MD5:75b09d553edc85aed239055cf335191b
share/examples/tinker/tip3p.key
@comment MD5:2be628eeb2f8c38f6af1faf255a32935
share/examples/tinker/tip3p.xyz
@comment MD5:832bae93cd215bb547db1319a86b8d3f
share/examples/tinker/tip4f.key
@comment MD5:347e1cd4234d161d86b7853324047fe7
share/examples/tinker/tip4f.xyz
@comment MD5:4548f9b1cfe9c19db98913c051383917
share/examples/tinker/tip4p.key
@comment MD5:3bb3aad399dfd0896f32f6c82d49e907
share/examples/tinker/tip4p.xyz
@comment MD5:be43e22b83fe3531a1efd0d036053951
share/examples/tinker/tip5p.key
@comment MD5:81670caecc4b6d947054c30e069866d8
share/examples/tinker/tip5p.xyz
@comment MD5:de97532873903da6a78448f3acc1f5b9
share/examples/tinker/trpcage.key
@comment MD5:8dfd63fa5b03df018a7649df323e91f0
share/examples/tinker/trpcage.pdb
@comment MD5:fdae3a2b366ecd1e092091d2422133cf
share/examples/tinker/trpcage.seq
@comment MD5:f8993e6f7e0a5a50c644d551a2d768e4
share/examples/tinker/trpcage.xyz
@comment MD5:17cb9ce55a4c4426ac467dcbc6c82ed5
share/examples/tinker/ubiquitin.key
@comment MD5:ef111523c62ef8d8c1e81a8e517703d9
share/examples/tinker/ubiquitin.pdb
@comment MD5:fde6fc918eef6c18f3a4ef33e3dc8c2d
share/examples/tinker/ubiquitin.seq
@comment MD5:454d21409b0182d6d645135f87fe05f8
share/examples/tinker/ubiquitin.xyz
@comment MD5:7d1355dd01a3ce8d6df3702397dd97a1
share/examples/tinker/ubiquitin2.key
@comment MD5:09bb47dcd0264ffc07051d61f8bcb17a
share/examples/tinker/ubiquitin2.seq
@comment MD5:454d21409b0182d6d645135f87fe05f8
share/examples/tinker/ubiquitin2.xyz
@comment MD5:76fe2c3677c2b5b938a33fcc7d8bb8b8
share/examples/tinker/urea.frac
@comment MD5:f758341ff5ec6b7f3f74270df6399c6a
share/examples/tinker/urea.key
@comment MD5:649954d92c2ba54c502ffa18b9a6faa7
share/examples/tinker/urea.xyz
@comment MD5:f5954d51649539fc0ccbc691ca1e8d42
share/examples/tinker/water.int
@comment MD5:51a58c8abd7e8a0760b7cb384e9fbc49
share/examples/tinker/water.key
@comment MD5:a8f3b939cda08b289210f118e6a63f43
share/examples/tinker/water.xyz
@comment MD5:79b2956ac38c6b66146f134d35083684
share/examples/tinker/waterball.key
@comment MD5:9178c0d75df65f3923baa1752da06fdd
share/examples/tinker/waterball.xyz
@comment MD5:cb829b03daeab1fba97b2a703634274b
share/examples/tinker/waterbig.key
@comment MD5:7ed5006bf8957c2194eb9484467fa89a
share/examples/tinker/waterbig.xyz
@comment MD5:93f21035d0a93549df556c7caf744e72
share/examples/tinker/waterbox.dyn
@comment MD5:6455851e53e29b63dc41980583b8172c
share/examples/tinker/waterbox.key
@comment MD5:87e25900c58c1020853a27055f01fcf2
share/examples/tinker/waterbox.xyz
@comment MD5:f79597bff236243df59c2059f0c27dcb
share/examples/tinker/waterdot.dyn
@comment MD5:911e8779006e046dd91d16aebc40a1d5
share/examples/tinker/waterdot.key
@comment MD5:a298d123ca7c66bbcd32ca0db27a0ce3
share/examples/tinker/waterdot.xyz
@comment MD5:366dff84802989840ca6ba46fc38b926
share/examples/tinker/waterglobe.key
@comment MD5:00872d46e06ed4c3d6d018164e106c39
share/examples/tinker/waterglobe.xyz
@comment MD5:3754b8fcec421b27c70d1474c36e1db1
share/examples/tinker/waterhuge.key
@comment MD5:6e908e6f24905b095686b3ffc8734db8
share/examples/tinker/waterhuge.xyz
@comment MD5:1d3ae43442c9113534a8440adaa29dd8
share/examples/tinker/waterslab.dyn
@comment MD5:781c74c82207ee62ff76c156f604362b
share/examples/tinker/waterslab.key
@comment MD5:a6a62eb23fdc037dec017a8c477078d9
share/examples/tinker/waterslab.xyz
@comment MD5:46ffcba3bccb03dc62d3ad17808498fd
share/examples/tinker/watersmall.dyn
@comment MD5:8096700af02e2602e4eaccfc5f1e81d1
share/examples/tinker/watersmall.key
@comment MD5:89ce3454d287073fd6e749d11b7f301f
share/examples/tinker/watersmall.xyz
@comment MD5:2b21d5d9f41414856d756fa4767f9e9d
share/examples/tinker/watertiny.dyn
@comment MD5:46ea0928a9b275b42727c6fd5ddfaaa5
share/examples/tinker/watertiny.key
@comment MD5:9b704755bb569f1ce079f64a9deef049
share/examples/tinker/watertiny.xyz
@comment MD5:a9d83aa82507bc399824c219956f78f5
share/examples/tinker/white.int
@comment MD5:b78e53bb0f8f19e93a56df52fbb7a07e
share/examples/tinker/white.key
@comment MD5:674469cebcfe6000b8f6cfb23617a5cd
share/examples/tinker/white.xyz
@comment MD5:d597b0cd6629bc0697b3f0060db5d4ce
share/tinker/bench/0README
@comment MD5:fb329f7810f74b96ef5b7bc35df05e58
share/tinker/bench/bench1.key
@comment MD5:5e33d14a71e5d9ef6be0436e260ef116
share/tinker/bench/bench1.run
@comment MD5:1ef35e700b1ec7f2286ea3f171fe3650
share/tinker/bench/bench1.xyz
@comment MD5:a806c1d9c49051c11a42277b6313a424
share/tinker/bench/bench2.key
@comment MD5:e67536d1a4aaf2662b9953bbf36b396c
share/tinker/bench/bench2.run
@comment MD5:9095ad22f46e2d9c39e348ea206b1fd5
share/tinker/bench/bench2.xyz
@comment MD5:a9b7559760c4866475695146623c7e5f
share/tinker/bench/bench3.key
@comment MD5:9ac66ce9ebcd760948e41fb7551e6ccd
share/tinker/bench/bench3.run
@comment MD5:a4f2b198cc97ef8068a5ee48b522e4e9
share/tinker/bench/bench3.xyz
@comment MD5:ccc37353047bb0e4ec0efce7a888540c
share/tinker/bench/bench4.dyn0
@comment MD5:743c95322f188246504c10e7740c7b28
share/tinker/bench/bench4.key
@comment MD5:5049f8057fb44e1f16cb34f7d202ab6c
share/tinker/bench/bench4.log
@comment MD5:cd8b7b6a31b3b31f1442348b375cdf8a
share/tinker/bench/bench4.run
@comment MD5:e2ca60d283773773fdc661f70cf2add2
share/tinker/bench/bench4.xyz
@comment MD5:975227392e59c352f6e0d5fb75802a1f
share/tinker/bench/bench5.dyn0
@comment MD5:3192da02daa5c1cce1985ebf1eb0a961
share/tinker/bench/bench5.key
@comment MD5:902b085b0f03f3f85b6c32ab1e71ec44
share/tinker/bench/bench5.log
@comment MD5:e15b43cde2100a8a49a22468f310a7ce
share/tinker/bench/bench5.run
@comment MD5:f43d936988e30a9facb52e0ba4aab74a
share/tinker/bench/bench5.xyz
@comment MD5:9e0917275ceb0c6ef80c8c433b452a3d
share/tinker/bench/bench6.key
@comment MD5:f0c34558c7af1dad2a09f8ffbc75d95e
share/tinker/bench/bench6.log
@comment MD5:5bf64e6a9aebd90af3996eab204f6436
share/tinker/bench/bench6.run
@comment MD5:4d451f31de92528393d8be3b1b6dcf67
share/tinker/bench/bench6.xyz
@comment MD5:93362d517be3e4281762949335c93a95
share/tinker/bench/bench7.key
@comment MD5:e3be7c2f6d4a6cab9d0fd5b6d86b9043
share/tinker/bench/bench7.log
@comment MD5:2c918c2eea25adf38eb0faf7b9b54312
share/tinker/bench/bench7.run
@comment MD5:a694b0f93636e1c5a101db163ca3495e
share/tinker/bench/bench7.xyz
@comment MD5:87cf2fe47c8570b02996f42134cc1a08
share/tinker/bench/results-2.3
@comment MD5:ce6dfe694f58cb29c9edff0e9f38a46b
share/tinker/bench/results-2.4
@comment MD5:be61ec2d4cb35e0f4bdee9fa37c85527
share/tinker/bench/results-2.9
@comment MD5:46da8b9aa14660413be9270c4462973d
share/tinker/bench/results-3.1
@comment MD5:c6d4efedafcfd9ebcd7c51f202d6c212
share/tinker/bench/results-3.2
@comment MD5:0e805aaccfd8414f2b1fdd120770e81a
share/tinker/bench/results-3.4
@comment MD5:74c6c144241cff7250766d8cd0482f49
share/tinker/bench/results-3.5
@comment MD5:b1b1567dbf4b793a3e49dabc28f44923
share/tinker/bench/results-3.7
@comment MD5:0d49c39366926ed7d7e175c66b3321a0
share/tinker/bench/results-3.8
@comment MD5:f073df7f4b5f66bd7f17723fd3d961d7
share/tinker/bench/results-3.9
@comment MD5:4e6c8b5074eb214b0e8b4a7fb8473af7
share/tinker/bench/results-4.0
@comment MD5:587bfa7b902230c59969fb1092cf9701
share/tinker/bench/results-4.1
@comment MD5:cfdc1f363bf48204f47388be31a55148
share/tinker/bench/results-4.2
@comment MD5:868b7118fb6462e1b1abb009c077f85b
share/tinker/bench/results-4.3
@comment MD5:982950a66ede7466820ac5c04965f0b6
share/tinker/bench/results-5.0
@comment MD5:1b7c75d612c360e5441bf02c397a0101
share/tinker/bench/results-5.1
@comment MD5:d298ff590ae6919db0629a656a91076c
share/tinker/bench/results-6.0
@comment MD5:5b8156da890ca0285ef99132d633c4d5
share/tinker/bench/results-6.2
@comment MD5:5dc77ef29778097cb1caad62ba51304b
share/tinker/params/0README
@comment MD5:e16b6f51cede5ae6c98c746c432143b0
share/tinker/params/amber94.prm
@comment MD5:3ec2ea17ae7a11f2d4d77861cd545954
share/tinker/params/amber96.prm
@comment MD5:ae9c9424dd5ae3464f31466d150485ce
share/tinker/params/amber98.prm
@comment MD5:422de50a88275204f6663d41ff8f7dae
share/tinker/params/amber99.prm
@comment MD5:4cc3dc5f4653c2263be5312979b1f3c6
share/tinker/params/amber99sb.prm
@comment MD5:d4fb0cb849397184adcce1166c671dec
share/tinker/params/amoeba04.prm
@comment MD5:a15ca78cabad1585841e332c5bc84e90
share/tinker/params/amoeba09.prm
@comment MD5:4a36337e8a7c36f725ca5e9713f4b8e3
share/tinker/params/amoebabio09.prm
@comment MD5:a35c0fde18affec2bbd98a3d93f8f7d6
share/tinker/params/amoebapro04.prm
@comment MD5:087f3c1c37001f86e647766063a81e16
share/tinker/params/amoebapro13.prm
@comment MD5:3073224b43afed2ecacb6575df187bb8
share/tinker/params/charmm19.prm
@comment MD5:ef35e00ab66369b8471c4331f1086938
share/tinker/params/charmm22.prm
@comment MD5:df489710d98a9b0676226790764a87f7
share/tinker/params/charmm22cmap.prm
@comment MD5:2f0569d5fba97801a4fa4d7eec12e66e
share/tinker/params/dang.prm
@comment MD5:a52d3cdcfb006d5bb1f474dac47b1371
share/tinker/params/hoch.prm
@comment MD5:3fbf306430280a8595b8d9b44b0f3e04
share/tinker/params/iwater.prm
@comment MD5:5ec1459ce93658b4e95332f6e6a10d03
share/tinker/params/mm2.prm
@comment MD5:3255322b8e06ca45a67d70f192608f1a
share/tinker/params/mm3.prm
@comment MD5:51e1cac0b90a4e58db95978dbb89e104
share/tinker/params/mm3pro.prm
@comment MD5:f95ce94e24a61e24cc04a058f02014be
share/tinker/params/mmff.prm
@comment MD5:55b4306642e062c55f25b9ac24f3abcb
share/tinker/params/oplsaa.prm
@comment MD5:096fceaa089f8354e8ec20dff3646657
share/tinker/params/oplsaal.prm
@comment MD5:6479bb5bf3bff2b64aec70787b94eb2b
share/tinker/params/oplsua.prm
@comment MD5:fdd624e18a31282c647a3c636398704b
share/tinker/params/smoothaa.prm
@comment MD5:76e80223c6b63a5210e0bce5e8b9e92a
share/tinker/params/smoothua.prm
@comment MD5:f347bbdeccabb3a73144ea58d9578f3e
share/tinker/params/tiny.prm
@comment MD5:1f4e174058c3e518ce07933bb8437023
share/tinker/params/water.prm
@comment MD5:41123a37361e38f33ab8948b9f9a39f7
share/tinker/test/0README
@comment MD5:edf0922351cb10f9f3b4432fbb22ddf9
share/tinker/test/anion.dat
@comment MD5:ee25822bfeffa944971404cd20f96ef6
share/tinker/test/anion.dyn0
@comment MD5:7dee8689b885314e10e21e6f4bc68114
share/tinker/test/anion.key
@comment MD5:74beba275feab9c3c2ad6f862bb9c3db
share/tinker/test/anion.log
@comment MD5:cb8f2a62f2e12c4336ecf8223699317d
share/tinker/test/anion.run
@comment MD5:45fd859494c6f735b7ae7cce185b571b
share/tinker/test/anion.xyz
@comment MD5:98f5d887ec0d146410ba34976a5b28fc
share/tinker/test/argon.1st
@comment MD5:a749e4dc356c51d875cea06d9d180f94
share/tinker/test/argon.key
@comment MD5:c58f7d5ea1d4985797a3341a4a277f1d
share/tinker/test/argon.log
@comment MD5:ea583b4923c2794318170e560779befa
share/tinker/test/argon.run
@comment MD5:fde657b7aac2fe46e673300a253bdcb8
share/tinker/test/cluster.dat
@comment MD5:cb852e2516ecdea1c0161333210010ff
share/tinker/test/cluster.key
@comment MD5:6f1ec08051a05c381f5ba68688e46ed8
share/tinker/test/cluster.log
@comment MD5:25b27488af667a8db4c900d8d37e8e5d
share/tinker/test/cluster.run
@comment MD5:e6dbba250d72c3d11aac3656a4b9c7e2
share/tinker/test/cluster.xyz
@comment MD5:82ae32761c1325ad14829e3fdf1d6e86
share/tinker/test/crambin.key
@comment MD5:485ed77879f5dc26d19387ae3c1d6363
share/tinker/test/crambin.log
@comment MD5:1f6cb2fa11258fd246a0ecc5c31408c8
share/tinker/test/crambin.pdb
@comment MD5:be602cf72741692e760689f04cbfe0f4
share/tinker/test/crambin.run
@comment MD5:197ceae731671128499872168b486558
share/tinker/test/cyclohex.boat
@comment MD5:4860f65fb44147bb0919c25e70d02a44
share/tinker/test/cyclohex.chair
@comment MD5:bc851d3d5b667b95f074fd7353dba1b8
share/tinker/test/cyclohex.key
@comment MD5:4f2e90e123b37ff9ef5acc625ff125b4
share/tinker/test/cyclohex.log
@comment MD5:8b14d6eda54932a598f664e0b72b10c3
share/tinker/test/cyclohex.run
@comment MD5:7f09ba15ff8e0789f556412cc273a365
share/tinker/test/dhfr.dyn
@comment MD5:b62851d8306c43f95f4461c276f4bd19
share/tinker/test/dhfr.key
@comment MD5:e5c5a8ee3996470f0f8bbb97b5565463
share/tinker/test/dhfr.log
@comment MD5:5cf547deb5bcba7cf3c8cbd9399a1abb
share/tinker/test/dhfr.run
@comment MD5:df739ba398db1210cbd8dbd2304db9d2
share/tinker/test/dhfr.xyz
@comment MD5:d00308ce0fbd5a6b83931f13b52740cd
share/tinker/test/dialanine.key
@comment MD5:1a9cf718b09cb08f841176378a79d4e6
share/tinker/test/dialanine.log
@comment MD5:c76b6d03ae065a6a82de3b9cb0bc7d30
share/tinker/test/dialanine.run
@comment MD5:88f2e476a68a84595f525027a383cd36
share/tinker/test/dialanine.xyz
@comment MD5:e77ac9c990e56af6c764d85fa7da32d1
share/tinker/test/enkephalin.dat
@comment MD5:92e709092d72e97bde70c2fbfcc51397
share/tinker/test/enkephalin.key
@comment MD5:5e2fa299c479b4720b9594c6a2f7966e
share/tinker/test/enkephalin.log
@comment MD5:0fa791f4895752e1657114cd2b7b84ef
share/tinker/test/enkephalin.run
@comment MD5:d6727c57d720526ce1cde25e91e731a2
share/tinker/test/ethanol.000
@comment MD5:664883528d3c2b05ea480d031aa6c4f8
share/tinker/test/ethanol.020
@comment MD5:8c9478de2fef7c1b1f44e7995126eda0
share/tinker/test/ethanol.040
@comment MD5:16cfacb4106ce8674b7ff6f6f47c0279
share/tinker/test/ethanol.060
@comment MD5:d1a1b0f61b12ff11237f634e08f45c4e
share/tinker/test/ethanol.080
@comment MD5:191aaab85f2156958f6bd0aeed39334c
share/tinker/test/ethanol.100
@comment MD5:6a8811289b39c16bf725ae487b44c952
share/tinker/test/ethanol.120
@comment MD5:97c47a971a33712bf445bf4d48a63087
share/tinker/test/ethanol.140
@comment MD5:c0ff085bcaec8d054d42b534dbcf46f3
share/tinker/test/ethanol.160
@comment MD5:240063d75257827c426a73ebacf4e6a3
share/tinker/test/ethanol.180
@comment MD5:e32ed87abb3dfaf3344f6513eeb42895
share/tinker/test/ethanol.dat
@comment MD5:909852804e6b754ab5647ac90095a5a0
share/tinker/test/ethanol.key
@comment MD5:db895744f97be0fa866dba5324df4654
share/tinker/test/ethanol.log
@comment MD5:94185dc1d89a622f37764df2096455b3
share/tinker/test/ethanol.run
@comment MD5:e9a04c40ce534c8f2b44df69d3c1fb1c
share/tinker/test/ethanol.xyz
@comment MD5:2cdfa2c35ea23cb5faecae5e25c335e7
share/tinker/test/formamide.cell
@comment MD5:e73ce7f4c6cd88fc9eb2f43bc2f102fd
share/tinker/test/formamide.dat
@comment MD5:99b4eff0c79bb56611400c40a8b508d0
share/tinker/test/formamide.key
@comment MD5:e7902fe34fa7f5aab5789aa838bf2f81
share/tinker/test/formamide.log
@comment MD5:ace3c136d8554c158923a72082d878c8
share/tinker/test/formamide.run
@comment MD5:6c3df321f17f20b46d4ad42d7d3af0d3
share/tinker/test/gpcr.blk
@comment MD5:b5990995f7af2b9d66ea4bd38fe55f99
share/tinker/test/gpcr.key
@comment MD5:94d8786fd496fb21427eb6e4530f1d1e
share/tinker/test/gpcr.log
@comment MD5:01b8b5fc7c809b119a6277c6095792b9
share/tinker/test/gpcr.run
@comment MD5:d82c846dc52d4578788dd0519c24e79a
share/tinker/test/gpcr.xyz
@comment MD5:012ce4fb67a7fa0bfe9ddd701ed3b723
share/tinker/test/helix.1st
@comment MD5:d2756e5486ca0f934787d6b306c92667
share/tinker/test/helix.key
@comment MD5:a5a2211c93f9538cc9249d81eec19cc3
share/tinker/test/helix.log
@comment MD5:7611e9084e62699e920e901a8d772a83
share/tinker/test/helix.run
@comment MD5:f4a4861a2d3b211dde0b068fceaa51cb
share/tinker/test/ice.key
@comment MD5:c5161107edc0f6ed15af2d9af377cfd2
share/tinker/test/ice.log
@comment MD5:c842230061deafcf5354a3d1ea982618
share/tinker/test/ice.run
@comment MD5:9f1723f8aebdb5e17784c2a9363fedb5
share/tinker/test/ice.xyz
@comment MD5:bac9f2c3e313ed304f82eb2b41fa70e1
share/tinker/test/ifabp.dat
@comment MD5:c176a4e85c21c3c2a11323375a2ff7f6
share/tinker/test/ifabp.key
@comment MD5:b8aa356a4994b421ed744b6aaea600d5
share/tinker/test/ifabp.log
@comment MD5:34616c359e06702f42a0c07f3b71e41b
share/tinker/test/ifabp.run
@comment MD5:4fcd3d953a21994e79d64d3e54dfc8c9
share/tinker/test/ifabp.xyz
@comment MD5:2a20e39e5a9307ed0137e861b701d008
share/tinker/test/salt.cell
@comment MD5:6feea82b6dfc4faf9214e174d5b9e3d5
share/tinker/test/salt.key
@comment MD5:37345b527c0a45286125119c189e040e
share/tinker/test/salt.log
@comment MD5:72393cd634f71ac091a31f1eb5e1feed
share/tinker/test/salt.run
@comment MD5:1b5961c6e3f0ec554ed148ff565d6ed3
share/tinker/test/tetraala.dat
@comment MD5:25d7d91848cdb1538af1be97e9ea96bb
share/tinker/test/tetraala.key
@comment MD5:d2a3d797a677c8f3c87bf88cf8a94d99
share/tinker/test/tetraala.log
@comment MD5:7212af9beded3ade5363984bc759c4d0
share/tinker/test/tetraala.run
@comment MD5:d1f1cae52a4a559eaca9afa2c68e8c93
share/tinker/test/water.key
@comment MD5:bbb9992f4ae3bd76c688401f719df456
share/tinker/test/water.log
@comment MD5:033ea7bdb28dbbe42fa0c2c8c32a39b3
share/tinker/test/water.pot
@comment MD5:b5b175e515c13504bcb6636e79721c93
share/tinker/test/water.run
@comment MD5:54938eeec97b9a7276fe17d9b927bbb6
share/tinker/test/water.xyz
@comment MD5:0c9366a4c8ca77ef144f4e481d180fa9
share/tinker/tinker.txt
@comment MD5:10702178460adaf4393017e84b3e4a83
@dirrm share/tinker/test
@dirrm share/tinker/params
@dirrm share/tinker/bench
@dirrm share/tinker
@dirrm share/examples/tinker
@dirrm share/doc/tinker
@comment OPTIONS:+DOCS +EXAMPLES -OPTIMIZED_FFLAGS
@comment Build details:  ||||
@display +DISPLAY
