100 ps NPT production for 120 deg &cntrl imin = 0, ntx = 5, irest = 1, ntpr = 10000, ntwr = 0, ntwx = 10000, ntf = 2, ntc = 2, cut = 8.0, ntb = 2, nstlim = 100000, dt = 0.001, temp0 = 300.0, ntt = 3, gamma_ln = 1, ntp = 1, pres0 = 1.0, taup = 5.0, nmropt = 1, ioutfm = 1, &end &wt type='DUMPFREQ', istep1=50, &end &wt type='END', &end DISANG=disang.120 DUMPAVE=dihedral_120.dat