heating &cntrl imin = 0, nstlim = 10000, irest = 0, ntx = 1, dt = 0.002, ntt = 1, temp0 = 300.0, tempi = 50.0, tautp = 1.0, ntc = 2, ntf = 1, ntb = 1, ioutfm = 1, iwrap = 1, ntwe = 1000, ntwx = 1000, ntpr = 1000, ntwr = 5000, nmropt = 1, ntr = 1, restraint_wt = 5.00, restraintmask='!:WAT & !@H=', icfe = 1, ifsc = 1, clambda = 0.0, scalpha = 0.5, scbeta = 12.0, logdvdl = 0, timask1 = ':30', timask2 = ':138', scmask1 = ':30', scmask2 = ':138', / &ewald / &wt type='TEMP0', istep1 = 0, istep2 = 8000, value1 = 50.0, value2 = 300.0 / &wt type = 'END' /