************************************************************************* ***************************** heat.in ***************************** ************************************************************************* Heating the system with 25 kcal/mol restraints on DNA, V=const &cntrl imin=0, ntx=1, ntpr=500, ntwr=500, ntwx=500, ntwe=500, nscm=5000, ntf=2, ntc=2, ntb=1, ntp=0, nstlim=50000, t=0.0, dt=0.002, cut=9.0, tempi=100.0, ntt=1, ntr=1,nmropt=1, restraintmask='@CA', restraint_wt=25.0, nmropt = 1, &end &wt type='TEMP0', istep1=0, istep2=5000, value1=100.0, value2=300.0, &end &wt type='TEMP0', istep1=5001, istep2=50000, value1=300.0, value2=300.0, &end &wt type='END', &end DISANG=inputs/restrain_cpz