Re: [AMBER] Solvent Box Issue When Running AMBER Dynamics

From: David Case <dacase.rci.rutgers.edu>
Date: Wed, 4 Mar 2015 20:02:12 -0500

> On Mar 4, 2015, at 5:46 PM, Zhang, Sixue <szhang74.illinois.edu> wrote:
>
> I brought out an solvent box issue to this mailing list a few weeks ago. I found that the solvent box became very weird in shape after dynamics (NVT or NPT). It looks like the water was boiling.

This *sounds* like something completely normal. Have you used the autoimage command in cpptraj? Does that not help?

...dac
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Received on Wed Mar 04 2015 - 17:30:03 PST
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