[gmx-users] question about modifying the force field
Mark.Abraham at anu.edu.au
Fri Aug 7 15:26:35 CEST 2009
Cenfeng Fu wrote:
> I want to add an extra item to the nonbonded force field to identify the
> pi-pi interaction between the heterocycles which may present in proteins. To
> implement this, which of the code files should I modify? Thanks.
That would depend entirely on the kind of interaction you wish to add,
if I've understood your usage of "identify" and "may". In any case,
adding something to a force field is not intrinsically likely to be useful.
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