Re: [AMBER-Developers] [AMBER] manual prmtop file editing for free energy calculation

From: David A Case <>
Date: Tue, 29 May 2012 07:54:48 -0400

On Mon, May 28, 2012, Ross Walker wrote:
> Out of interest how does Leap know to use different combining rules for

The "AC" vs. "RE" flag in the non-bonded section triggers a change in
combining rules. (I think! check the code or run a simple test calculation.)


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Received on Tue May 29 2012 - 05:00:03 PDT
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