[gmx-users] Lennard-Jones Wall ( help please ! )

Lamm Gro 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 .

I used
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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