Re: AMBER:molsurf: molsurf.c:1057: is_buried: Assertion `sarg1 >= 0.0' failed

From: David A. Case <>
Date: Wed, 8 Mar 2006 08:46:55 -0800

On Wed, Mar 08, 2006, snowyowls wrote:

> I run a MM_PBSA caculation and failed
> system tell me that
> molsurf: molsurf.c:1057: is_buried: Assertion `sarg1 >= 0.0' failed
> I have search this message in maillist archive

The best advice I have is to follow the suggestions here:

Do you have any unusal atoms or radii in your system? Does this problem
happen for more than one molecule? You could post the pqr file that shows
the problem -- try to make as small a test case as you can.

....good luck...dac

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Received on Sun Mar 12 2006 - 06:10:15 PST
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