&cntrl imin = 0, nstlim = 500000, dt = 0.001, irest = 1, ntx = 5, ig = -1, ntwx = 10000, ntwe = 0, ntpr = 10000, iwrap = 1, ntt = 3, tempi = 298.0, temp0 = 298.0, gamma_ln = 2.0, ntb = 2, ntr = 1, restraintmask = ":1-27 & !@H=", restraint_wt = 20.0, ntp = 1, barostat = 2, pres0 = 1.01325, taup = 2.0, icfe = 1, clambda = 0.00922, klambda = 1, timask1 = ':TMP', timask2 = '', ifsc = 1, scmask1 = ':TMP', scmask2 = '', crgmask = ':TMP' /