Re: [AMBER-Developers] Monte Carlo barostat in sander

From: Jason Swails <>
Date: Wed, 22 Jan 2014 14:59:24 -0500

On Wed, Jan 22, 2014 at 2:23 PM, Gerald Monard <> wrote:

> Hi,
> I'm interested in using the MC barostat.
> I did 'git pull' in my master branch, did configure, did make ... and
> failed.
> It seems there is at least a problem in mdread.F90:

Alas, I do this too often. After I tested the MC barostat I went ahead
and set up error catches to prevent MC barostat from being used with
untested combinations. I did not test that last commit since I thought it
was trivial.

I've pushed the changes so it should hopefully work now.


Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER-Developers mailing list
Received on Wed Jan 22 2014 - 12:00:02 PST
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