System minimization: &cntrl imin=1, ntmin=1, nmropt=0, drms=0.1 maxcyc=2000, ncyc=1500, ntx=1, irest=0, ntpr=100, ntwr=100, iwrap=0, ntf=1, ntb=1, cut=10.0, nsnb=20, igb=0, ibelly=0, ntr=1, restraintmask="!:WAT", restraint_wt=10.0, &end