[gmx-users] Lennard-Jones Wall ( help please ! )
lammgro at gmail.com
Wed Nov 30 13:20:18 CET 2016
Dear Gromacs users ,
I am new in Gromacs and I joint to mailing list recently .
unfortunately no one answered my question about lennard-jones wall .
Can you please help me about that ?
I want to use two lennard-jones walls at special distance from each other
at Z direction but I don't know how I can do that by gromacs .
pbc = xy
nwall = 2
wall-atomtype = opls_740 opls_740
wall-type = 9-3
wall-density = 50 50
wall-r-linpot = 1
But I get lost atom error , I think it's because of some atoms that are
beyond wall !
Can you please let me know How i can change the wall location in system ?
Thanks in advance .
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