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
neighbor-list
a-axis                        62.23
vdw-cutoff                     12.0
ewald
ewald-cutoff                    7.0
pme-grid                   64 64 64
pme-order                         5
polar-eps                   0.00001
