[gmx-users] compination rule
leafyoung81-group at yahoo.com
Thu Jul 13 01:49:43 CEST 2006
ARGYRIOS KARATRANTOS wrote:
> 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.
Please be more specific. What's the warning?
> thanks in advance
> Argyris Karatrantos
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