On Oct 29, 2011, at 4:35 PM, Francesco Oteri <francesco.oteri.gmail.com> wrote:
>> I don't see any good reason not to use the CHARMM Fe-S parameters in
>> conjunction with the Amber protein force fields.
> I believe mixing different force-fields is not a good practice
That might be reasonable rule in general, but I don't think it applies here. FeS clusters are such unique beasts that there is no "Amber way" or "charmm way" to develop parameters. But chacun a son gout...
...dac
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Received on Mon Oct 31 2011 - 18:30:02 PDT
