Re: AMBER: soft-cores and Amber

From: Carlos Simmerling <>
Date: Tue, 15 Feb 2005 18:11:14 -0500

I put soft-core free energy code into gibbs a long time ago, but it
seems to have
disappeared. I probably have an old version around somewhere if someone
wanted to see how it was implemented. I think it was fairly straightforward.

>On Tue, Feb 15, 2005, David A. Case wrote:
>>I don't know of any efforts to put soft-cores into Amber.
>OK: a correction. There *have* been soft-core related efforts in Amber, by
>Dave Pearlman and by the Simmerling group. I just meant that there are
>no Gromacs-like soft cores for free energy calculations (as far as I know).
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Received on Tue Feb 15 2005 - 23:53:01 PST
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