Minimize solvent
 &cntrl
   imin=1, maxcyc=10000, ntmin=1,
   ntb=1, ntc=1, ntf=1,
   ntr=1, restraintmask="!(:WAT)", restraint_wt=20.0
   ntwx=100, ntpr=100, ntwr=100, iwrap=1,
   ioutfm=1,

 /

