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?
Yang Ye
thanks in advance
Argyris Karatrantos
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