Re: [AMBER] help identifying dihedral parameters for paracetemol using Antechamber

From: David A Case <david.case.rutgers.edu>
Date: Tue, 3 May 2016 15:53:58 -0400

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 - 13:00:02 PDT
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