AMBER Archive (2006)

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

From: David A. Case (case_at_scripps.edu)
Date: Wed Mar 08 2006 - 10:46:55 CST

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:

   http://amber.ch.ic.ac.uk/archive/200410/0209.html

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

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu