************************************************************************* ***************************** eq3.in ***************************** ************************************************************************* Equilibrating the system with 3 kcal/mol restraints on DNA, during 50ps, at constant T= 300K & P= 1Atm and coupling = 0.2 &cntrl imin=0, ntx=1, ntpr=500, ntwr=500, ntwx=500, ntwe=500, nscm=5000, ntf=2, ntc=2, ntb=2, ntp=1, tautp=0.2, taup=0.2, nstlim=25000, t=0.0, dt=0.002, cut=9.0, ntt=1, ntr=1, restraintmask='@CA', restraint_wt=3.0, nmropt=1, &end &ewald ew_type = 0, skinnb = 1.0, &end &wt type='END', &end DISANG=inputs/restrain_tmi