Re: [AMBER] Three body potential

From: David A Case <>
Date: Fri, 13 Sep 2013 15:15:21 -0400

On Sat, Sep 14, 2013, MOHD HOMAIDUR RAHMAN wrote:
> I want to use three body potential in amber force field. Please guide me to
> how I will proceed this.

The real answer depends on the nature of the three body potential you have in
mind. Generally speaking, this would be a *very* hard problem: you would
pretty much have to learn in detail how the current codes work, and then plan
a major project to add new functionality.

You might want to consider the Tinker package, which tries to make it
relatively easy to add new functional forms.


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Received on Fri Sep 13 2013 - 12:30:02 PDT
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