AMBER Archive (2006)

Subject: Re: AMBER: molsurf.c error

From: David A. Case (case_at_scripps.edu)
Date: Thu May 04 2006 - 15:21:28 CDT

On Thu, May 04, 2006, Miguel Ferreira wrote:

> However I am still getting the error: “molsurf: molsurf.c:1055: is_buried:
> Assertion `sarg1 >= 0.0' failed”. Has anyone experienced this problem
> before?

This is what the Google box at the top of the Amber web page is designed
to help with. Searching on "sarg1" brings up the following suggestion:

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

Try to strip your problem down to as small a pqr file as you can, and see if
you get any good ideas. If you can post the problem file, others can look at
it....without that, we can't reproduce the problem, and won't be easily able
to fix it, either.

...dac

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