100ns Production MD (NVT) &cntrl imin = 0, irest = 1, ntx = 7, ntb = 1, ntp = 0, cut = 10.0, ntr = 0, ntc = 2, ntf = 2, tempi = 300.0, temp0 = 300.0, ntt = 3, gamma_ln = 1.0, nstlim = 50000000, dt = 0.002, ntpr = 100000, ntwx = 100000, ntwr = 100000 /