[gmx-users] membrane equilibrium problem 3!!!
nanyu101
nanyu101 at sina.com
Sun Jul 20 07:31:01 CEST 2003
Dear gmx-users,
Thanks for Christoph Freudenberger prompt reply again.I will show you the minimization details.The em.mdp file was pasted as follows.
cpp = /lib/cpp
define = -DPOSRES
constraints = none
integrator = steep
emstep = 0.001
emtol = 100
nsteps = 200000
nstcomm = 1
nstxout = 50
nstvout = 1000
nstfout = 0
nstlog = 10
nstenergy = 10
nstlist = 10
pbc = xyz
ns_type = grid
coulombtype = cut-off
rlist = 1.0
rcoulomb = 1.8
rvdw = 1.4
Tcoupl = no
Pcoupl = no
gen_vel = no
Thanks a lot.
Best wishes,
Xianhui Wu
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