Hi,
maybe this paper is interesting for your purpose:
http://dx.doi.org/10.1021/bi200046p
Actually, they develop parameters for CHARMM (that can be used with the
AMBER program),
anyway as stated anyway in this mailing list, there is no "CHARMM way" or
"AMBER way"
to parametrize such exotic molecules,
Regards,
Francesco
2012/5/17 Wilson, Katie <ka.wilson.uleth.ca>
> Hi,
>
> I am trying to set up my calculation for a DNA protein complex and there
> is a 4Fe:4S cluster in the protein. Are there parameters for 4Fe:4S
> clusters to use in AMBER or a way to parametrize the 4Fe:4S cluster for
> use in AMBER?
>
> Thanks,
> Katie
>
>
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--
Cordiali saluti, Dr.Oteri Francesco
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Received on Thu May 17 2012 - 16:00:03 PDT
