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

From: David A Case <>
Date: Sun, 1 May 2016 08:42:21 -0400

On Sun, May 01, 2016, conor parks wrote:
> 1) broadly speaking, is there anyway to know the list of dihedral pairs
> being used.

I'm not sure what you mean by the phrase "diehdral pairs". But the
printDihedrals command in parmed will format the dihedrals in a nice way,
and that may help you understand what is going on.

See also the other print* commands in parmed.

...hope this helps...dac

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Received on Sun May 01 2016 - 06:00:06 PDT
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