Re: [AMBER] Amber and gaff atom types

From: David A Case <david.case.rutgers.edu>
Date: Sun, 16 Oct 2016 08:35:06 -0400

On Fri, Oct 14, 2016, Aditya G Rao wrote:
>
> .David: what do you mean by "in most cases, it will be better to do this
> job by hand"? Miha wrote in his email that he changed the atom type by hand.

I meant: "don't use the parmchk2 program [for estimating missing parameters
for Amber atom types."

...dac


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Received on Sun Oct 16 2016 - 06:00:03 PDT
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