David,
thank you very much for providing that link. That was very helpful. That
clears up the negative sign issue for me. Thanks! Was my first question,
correct? I.E. the dihedral potential and forces get evaluated for each
parameter set associated with it, even when there are multiple, and the
results are summed?
Regards,
Conor Parks
B.S.E in Chemical Engineering, University of Michigan, 2012
PhD candidate in Chemical Engineering, Purdue University
On Tue, May 3, 2016 at 3:53 PM, David A Case <david.case.rutgers.edu> wrote:
> On Tue, May 03, 2016, conor parks wrote:
> >
> > However, in my prmtop file (values given in first email in this chain),
> the
> > periodicity values are given as 1 and 2 (no negative sign). What happened
> > to the negative sign on these periodicity values in my prmtop file?
>
> Please see http://ambermd.org/formats.html#parm.dat. Negative values in a
> parm.dat file have a special meaning.
>
> ...dac
>
>
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Received on Tue May 03 2016 - 13:30:05 PDT
