[gmx-users] mdp file

[leila karami]

dear Mark

thanks for your attention. is this mdp file true for energy minimization
(100 steps by steepest descent and 100 steps by* conjugate gradient*)?

define                =  -DFLEX_SPC
constraints         =  none
*integrator          =  steep
nsteps               =  100
integrator          =  cg
nsteps               =  100*
emtol                 =  2000
emstep              =  0.01
nstcomm           =  1
ns_type             =  grid
rlist                   =  1
rcoulomb           =  1.0
rvdw                 =  1.0
Tcoupl              =  no
Pcoupl              =  no
gen_vel             =  no
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