# Rhodopsin model units real atom_style full atom_modify map hash bond_style harmonic angle_style charmm dihedral_style charmm improper_style harmonic pair_style lj/charmm/coul/long 8.0 10.0 pair_modify mix arithmetic kspace_style pppm 1e-4 read_data data.rhodo restart 200 restartA neigh_modify delay 5 every 1 #replicate $x $y $z #fix 1 all npt temp 300.0 300.0 1000.0 iso 1.0 1.0 1000.0 fix 1 all shake 0.0001 5 0 m 1.0 a 232 #fix 2 all npt temp 300.0 300.0 100.0 z 0.0 0.0 1000.0 mtk no pchain 0 tchain 1 special_bonds charmm thermo 1 thermo_style multi timestep 1.0 run $t