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