echo ################################################################
echo Joint Amber-CHARMM Benchmark on Dihydrofolate Reductase in Water
echo 23558 Atoms, 62.23 Ang Cube, 9 Ang Nonbond Cutoffs, 64x64x64 PME
echo ################################################################

parameters       ../params/amoebabio09
verbose
randomseed       123456789
a-axis           62.23
vdw-cutoff       9.0
ewald
ewald-cutoff     6.7
pme-grid         64 64 64
pme-order        5
polar-eps        0.01
neighbor-list
