************************************************************************* ***************************** md0.in ***************************** ************************************************************************* Equilibrating the system without restraints during 50ps at constant T= 300K & P= 1Atm and coupling = 5.0 &cntrl imin=0, ntx=7, ntpr=500, ntwr=500, ntwx=500, ntwe=500, nscm=5000, ntf=2, ntc=2, ntb=2, ntp=1, tautp=5.0, taup=5.0, nstlim=25000, t=0.0, dt=0.002, cut=9.0, ntt=1, irest=1, &end &ewald ew_type = 0, skinnb = 1.0, &end