NPT MD 10ns production of system without restraints &cntrl imin=0, irest=1, ntx=5, nstlim=5000000, dt=0.002, ntc=2, ntf=2, cut=10.0, ntb=2, ntp=1, taup=1.0, pres0=1.0, ntt=3, tempi=300.0, temp0=300.0, gamma_ln=5, ig=-1, ntpr=1000, ntwx=1000, ntwr=1000, ioutfm=1, iwrap=1, nmropt=1, / &wt type='END' / DISANG=rc.con