On Fri, Nov 29, 2002, Monica wrote:
> Restraints will be read from file: cgadmhb_lessout
> Here are comments from the DISANG input file:
> #
> # 1 DC5 H1' 1 DC5 H2'1 2.20 2.60
> Error: Atom 1 in following group definition is greater than total # atoms
> 515 ~
Unless you post some information about the restraint file you are
using, I don't see how anyone could be expected to help. The error message
seems pretty clear: look at the group definitions, compare them to the
number of atoms in the system.
Setting "LISTIN=POUT" will provide more detailed info about your restraints;
that might help you track down the problem.
...dac
--
==================================================================
David A. Case | e-mail: case_at_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 Fri Nov 29 2002 - 11:49:20 PST
