Re: AMBER: files in Amber directory ( to Junmei Wang )

From: David A. Case <>
Date: Tue, 15 Jul 2008 11:55:41 -0700

On Tue, Jul 15, 2008, John Bennett wrote:

> How can I change
> and edit the functional forms and force constants of GAFF force field ?

Functional forms are hard-wired into the code; force constants are in the
gaff.dat, in $AMBERHOME/dat/leap/parm.


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Received on Wed Jul 16 2008 - 06:07:40 PDT
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