Heat &cntrl imin=0, ntx=1, irest=0, nstlim=100000, dt=0.002, ntf=2, ntc=2, tempi=0.0, temp0=300.0, ntpr=500, ntwx=10000, cut=999.0, ntb=0, ntp=0, ntt=3, gamma_ln=2.0, ig=-1, ioutfm=1, ntwv=-1, ntr=1, restraintmask=':10-2057', restraint_wt=50.0, /