[gmx-users] graph edge limit
leafyoung81-group at yahoo.com
Thu Nov 10 17:17:31 CET 2005
I recently met this error with 3.3 version's mdrun.
"More than 12 graph edges per atom (atom xxxx)"
My system is a 8-atom stable structure, each of them is bonded and these
bonds are transformed to SHAKE constraints. The system is
over-constrained with 28 bonds. The error applied to almost each one of
them. I did not meet this error with a pre-3.3 cvs version. Is there any
workaround to lift this limit?
/Computational Biology Lab
School of Biological Sciences
Nanyang Technological University
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