[gmx-users] Wall parameters

Mijiddorj B b.mijiddorj at gmail.com
Wed Jun 27 10:00:50 CEST 2018


Dear Experts,

Please suggest and advice me on wall parameters in coarse-grained MD.
I used as follows, but segmentation fault and sorting errors happened.

* ewald_geometry    = 3dc
** nwall        = 2
**wall_type    = 12-6
**wall_r_linpot    = -1 -1
**wall_atomtype   = P1 P1
**wall_density    = 12 12
**wall_ewald_zfac    = 3
**pbc        = xy*

Best regards,
Miji


More information about the gromacs.org_gmx-users mailing list