[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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