Heat &cntrl imin=0, ntx=1, irest=0, nstlim=10000, dt=0.001, tempi=0.0, temp0=310.0, ntr=1, (turn on Cartesian restraint) restraint_wt=1.0, (force constant for restraint) restraintmask=':1-58',(atoms in residues 1-58 restrained) ntpr=100, ntwx=100, cut=10.0, ntb=1, ntp=0, ntt=3, gamma_ln=2.0, ig=-1, / &wt type='TEMP0', istep1=0, istep2=9000, value1=0.0, value2=300.0 / &wt type='TEMP0', istep1=9001, istep2=10000, value1=300.0, value2=300.0 / &wt type='END' /