Cenfeng Fu wrote:
Hi,
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.
Mark
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