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[modeller_usage] max number of optima in resdih.lib
- To: modeller_usage@listsrv.ucsf.edu
- Subject: [modeller_usage] max number of optima in resdih.lib
- From: Luis Gracia <lug2002 AT med.cornell.edu>
- Date: Tue, 29 Nov 2005 17:16:55 -0500
Hi! I need to modify the rotamer definitions in resdih.lib, but I get
the following error when adding 4 entries to a residue.
_modeller.error: rdrdih__223E> Internal error: array too small: MDIHOPT
current maximum, current need: 4 4
This is the line that creates the error:
CA CB CG OD1 4 0.516 0.194 0.161 0.129 -11.9 69.4
-67.6 154.8 12.5 11.1 23.3 25.7 -180 -90 -90 0 0 90 90 180
using only 3 optima values doesn't give any error. Is there a limit in
the maximum number of optima? This info is part of the output but I
don't know if its a limit or the number found:
Maximal number of dihedral angle optima: 3
Thanks for the help
Luis
--
Luis Gracia, PhD
Department of Physiology & Biophysics
Weill Medical College of Cornell University
1300 York Avenue, Box 75
New York, NY 10021
Tel: (212) 746-6375
Fax: (212) 746-8690
lug2002 AT med.cornell.edu