[gmx-users] Regarding wall settings in CG MD
b.mijiddorj at gmail.com
Mon Jun 25 08:12:28 CEST 2018
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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