Re: [AMBER] which solvent model to use with solvateCap

From: Jason Swails <>
Date: Mon, 27 Jul 2015 10:35:25 -0400

On Mon, 2015-07-27 at 14:23 +0000,
> Thanks a lot for your answer.
> I don't have access yet to pmemd (still waiting for the license over
> here), so we have to stick to NAMD and with their implementation it
> makes a huge difference on performance. This is why we still use it.

If that is the case, then the NAMD list may have people with better
insights into the use of a cap. It's pretty clear that the solvent cap
is largely ignored for the most part by heavy Amber users/developers.


Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Mon Jul 27 2015 - 08:00:03 PDT
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