mra_bu at yahoo.com
Tue Jan 17 18:06:42 CET 2012
Dear Gromacs users,
May I ask you to help me about use of walls in martini coarse-grained, please?
I defined two walls for my system as following:
pbc = xy
nwall = 2
wall_type = 12_6
wall_r_linpot = 1
wall_atomtype = W W
I selected water as wall_atomtype, when I run grompp, all of things are good, but when I run mdrun, system give me: Segmentation fault
If I use pbc=xyz without walls, all of things are good, then my problem is wall.
May I know my mistake, please?
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