[gmx-users] LJ wall

Lamm Gro lammgro at gmail.com
Sat Nov 26 11:53:10 CET 2016


Dear Gromacs users ,

How Can i change lennard-jones wall s location at Z direction ?
I use lennard jones wall with these command in mdp file  :
...
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 ?

Best ,
Saeed.


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