On Wed, May 07, 2003, Asif Rahaman wrote:
> I am switching from Amber 5 to Amber 6. I have the topology and pdb file
> made in Amber 5. When I run sander in Amaber 6 with the earlier topology and
> crd file, I get the following errors. Is there a way to get around it???
I don't think your problem has anything to do with the topology files, or
the change from Amber 5 to Amber 6 (although both are pretty old...)
> The error I get:
> ----- END OF GROUP READ -----
> When igb>0, the moving part must be at the
> start of the molecule. This does not seem
> to be the case here.
As the message says, only a very limited version of the belly option is
available when igb>0. There is no direct work-around; you could try using
ntr=1 rather than ibelly=1: that would give very similar results.
...good luck...dac
--
==================================================================
David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Thu May 08 2003 - 02:53:02 PDT
