1echo ######################################################################## 2echo ## Joint Amber-CHARMM Benchmark on Dihydrofolate Reductase in Water ## 3echo ## 23558 Atoms, 62.23 Ang Cube, 9 Ang Nonbond Cutoffs, 64x64x64 PME ## 4echo ######################################################################## 5 6parameters ../params/amoebabio18 7verbose 8neighbor-list 9a-axis 62.23 10vdw-cutoff 12.0 11ewald 12ewald-cutoff 7.0 13pme-grid 64 64 64 14pme-order 5 15polarization MUTUAL 16polar-eps 0.00001 17polar-predict 18polar-print 19