Re: [AMBER] Amber ff03w/tip4p2005

From: David A Case <case.biomaps.rutgers.edu>
Date: Tue, 22 Jan 2013 07:47:10 -0500

On Tue, Jan 22, 2013, Neha Gandhi wrote:
>
> Is there leaprc files for ff03w/tip4p2005 in amber 11 or 12? I can see that
> this forcefield and water potential are available in gromacs format.

We don't have such files, but I believe they should be easy to construct:
tip4p2005 is a small change from the existing tip4pew, and ff03w in turn is
just a small change from ff03.

Someone on the list may be able to contribute here....

...good luck....dac


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Received on Tue Jan 22 2013 - 05:00:02 PST
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