define = -DPOSRES dt = 0.02 nsteps = 25000 nstxout = 0 nstvout = 0 nstlog = 100 nstxtcout = 100 xtc-precision = 10 rlist = 1.4 coulombtype = shift rcoulomb = 1.2 epsilon_r = 15 vdw-type = shift rvdw-switch = 0.9 rvdw = 1.2 tcoupl = v-rescale tc-grps = Protein W tau-t = 1.0 1.0 ref-t = 300 300 Pcoupl = parrinello-rahman Pcoupltype = isotropic tau-p = 12.0 compressibility = 3e-4 ref-p = 1.0 refcoord_scaling = all