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.
....dac
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Received on Tue Aug 24 2010 - 13:00:05 PDT
