Hi,
I've seen a couple of such cases as well with gaff, for example I had to
develop c3-c3-c2-c2, c3-c3-c2-c3, c2-c2-c3-ss to complement with gaff.
These specific terms are necessary for my system to reproduce QM
calculated potential surface profiles, however, they're either missing
or represented by a generic term.
Guanglei
FyD wrote:
> Dear Amber Users,
>
> I have a question about a dihedral force field parameter in parm99 and gaff:
> X-CA-CT-X has a IDIVF=6 and PK=0 phase = 0
>
> Why PK = 0 ?
>
> This seems more or less general for FF param having IDIVF=6 ?
> Is there a particular reason for that ?
>
> I fitted the "CA-CA-CA-NT" FF param to "Eqm-Emm(non-bond)" and PK is really
> different from 0...
>
> Thanks, regards, Francois
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Received on Fri Jul 16 2004 - 18:53:01 PDT
