Re: [AMBER] gaff

From: David A Case <dacase.chem.rutgers.edu>
Date: Fri, 28 Jul 2017 11:51:53 -0600

On Thu, Jul 27, 2017, Milo Westler wrote:

> Is gaff2 being used in antechamber? If not, why?

Yes, gaff2 is available. For backwards compatibility with older scripts,
gaff (i.e. gaff1) is the default, but there are options in both antechamber
and parmchk2 to use gaff2. Just type "antechamber -help" or "parmchk2 - help".

....dac


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Received on Fri Jul 28 2017 - 11:00:03 PDT
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