heat ras-raf &cntrl imin=0,irest=1,ntx=5, nstlim=25000,dt=0.002, ntc=2,ntf=2, cut=8.0, ntb=2, ntp=1, taup=1.0, ntpr=500, ntwx=500, ntt=3, gamma_ln=2.0, temp0=300.0, ntr=1, restraintmask=':1-242', restraint_wt=2.0, /