water min
 &cntrl
    imin=1, ntx=1, irest=0, ntpr=1,
    ntc=2, ntf=1, ntb=0,
    cut=9.0, nsnb=10,
    maxcyc=50, ncyc=50, ntmin=2,
    ifcr=1, crcut=3.0, crin='cr.in',
    crprintcharges=1, cropt=1
 /
