[gmx-users] Regarding wall settings in CG MD

Mijiddorj B b.mijiddorj at gmail.com
Mon Jun 25 08:12:28 CEST 2018

Dear Users,

I would like to simulate coarse grained membrane system with two walls. I
used related optrions of wall as follows:

* ewald_geometry    = 3dc
** nwall        = 2
**wall_type    = 12-6
**wall_r_linpot    = -1
**wall_atomtype   = C5 C5
**wall_density    = 12 12
**wall_ewald_zfac    = 3
**pbc        = xy*

However, after  minimization and shord equilibration, some atoms lost.

Please suggest and advise me on atomtype, density, etc.



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