Restrained NPT Eq &cntrl imin = 0, irest = 1, ntx = 5, ntwe = 1000, ntwx = 1000, ntwr = 1000, ntpr = 1000, ntt = 2, temp0 = 300, tempi = 300, dielc = 1, cut = 10.0, ntb = 2, ntp = 1, ntc = 2, ntf = 2, ig = -1, nstlim = 125000, dt = 0.001, ntr = 1, restraintmask = ':1-287', restraint_WT = 500, /