;
title                    = min
cpp                      = /usr/bin/cpp
;
integrator               = steep
nsteps                   = 1000
dt                       = 0.002
;
nstxtcout                = 10000
nstenergy                = 10000
nst_log                  = 10000
nstxout                  = 10000
nstvout                  = 10000
;
nstlist                  = 1
ns_type                  = simple
pbc                      = no
nstcomm                  = 1
comm_grps                = System
rlist                    = 9.9
;
coulombtype              = shift
rcoulomb                 = 9.9
vdwtype                  = shift
rvdw                     = 9.9
;
constraints              = hbonds
unconstrained-start      = no
