[gmx-users] LJ wall
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 ?
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