inpcrd->refcrd tgtmd: regular vacuum md, backbone restrained &cntrl imin = 0, ntx = 1, nstlim = 5000, irest=0, dt = 0.002, ntc = 2, ntf = 2, tol = 0.000001, tempi = 100.0, temp0 = 300.0, scee = 1.2, cut = 10.0, ntpr = 50, ntwx = 50, ntwr = 500, ntb = 0, ntt = 1, tautp = 0.5, ntp = 0, igb = 1, nscm = 0, nmropt = 1, ntr = 1, restraint_wt=0.02, restraintmask=":TAZ | :40-51,73-85,96-113,136-147,207-220@CA", itgtmd = 1, tgtrmsd = 5.516, tgtmdfrc = 1.0, tgtrmsmask=":TAZ & @S1,C2,C3,N4", / &wt TYPE='TGTRMSD', istep1=1, istep2=1000, value1 = 1.000, value2 = 0.0, / &wt TYPE='TGTRMSD', istep1=1000, istep2=0, value1 = 0.0, value2 = 0.0, / &wt type="END", /