From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Fri Aug 19 2005 - 16:47:19 CDT
Hello
This is the firs time I have seen this problem, the system is neary 600K
atoms.
Fatal error on PE 0> FATAL ERROR: DIHEDRALS INDEX 150255520 GREATER THAN
NATOM 595296 IN DIHEDRALS # 134983 IN PSF FILE
I have checked the file in vmd and it reads fine. I have inspected the
file and searched for the number 134983 but it is a water atom and doesn't
show up in the dihedral section of the psf file.
Interesting error in deed
************************************************
Brian Bennion, Ph.D.
Bioscience Directorate
Lawrence Livermore National Laboratory
P.O. Box 808, L-448 bennion1_at_llnl.gov
7000 East Avenue phone: (925) 422-5722
Livermore, CA 94550 fax: (925) 424-6605
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