[gmx-users] compination rule

ARGYRIOS KARATRANTOS axk47 at psu.edu
Wed Jul 12 18:59:17 CEST 2006


Hi all, 

is it possible in the topology file to have (compination rule=1) and have under
the [nonbond_params] both LJ potentials and Buckingham potentials. please let
me know. i am doing that but i get some warnings after "grompp" procedure.

thanks in advance
Argyris Karatrantos



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