title               =  MT1_popc25 EM to settle waters prior to PR-MD
cpp                 =  /lib/cpp
define              =  -DFLEX_SPC
constraints         =  none
integrator          =  cg 
nsteps              =  10000
nstlist             =  10
ns_type             =  grid
rlist               =  1.0
rcoulomb            =  1.0
rvdw                =  1.2
;
;       Energy minimizing stuff
;
emtol               =  1000.0
emstep              =  0.01
nstcgsteep 	    =  50