On Tue, Aug 24, 2010 at 3:55 PM, case <case.biomaps.rutgers.edu> wrote:
> On Tue, Aug 24, 2010, Jason Swails wrote:
> >
> > I've been combing through the prmtop and relevant potential parameters
> and
> > I've run across something that doesn't quite make sense to me. The
> improper
> > dihedral parameters are described in the amber format specification as:
> >
> > IPT , JPT , KPT , LPT , IDIVF , PK , PHASE , PN
>
> Please heed the note for card 7 at
> http://ambermd.org/formats.html#parm.dat:
>
> The input is the same as in for the dihedrals except that
> the torsional barrier height is NOT divided by the factor idivf.
>
> So, idivf is indeed a placeholder, if present.
>
Ah, indeed I should look harder.
Thanks!
Jason
>
> ....dac
>
>
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--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Tue Aug 24 2010 - 13:30:03 PDT
