Standard MD run file &cntrl nmropt = 0, ntx = 5, irest = 1, ntrx = 1, ntxo = 1, ntpr = 100, ntwx = 1000, ntwv = 0, ntwe = 100, iwrap = 0, ioutfm = 0, ntf = 2, ntb = 2, cut = 9.0, ibelly = 0, ntr = 0, imin = 0, nstlim = 1100000, nscm = 1000, t = 0.0, dt = 0.0015, temp0 = 298.15, tempi = 280.0, ig = 9376841, ntt = 3, gamma_ln = 3.0, vlimit = 20.0, ntp = 1, pres0 = 1.0, comp = 44.6, taup = 1.0, ntc = 2, tol = 0.00001, watnam = 'WAT ', &end