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Bug #500

pdb2gmx segv

Added by Berk Hess over 9 years ago. Updated over 9 years ago.

Status:
Closed
Priority:
Normal
Assignee:
Erik Lindahl
Category:
mdrun
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
Close

Description

pdb2gmx indexes residues out of range at line 716 of pdb2gmx.c.
I noticed this with 2hhb.pdb where I merge each HEM group with
the previous chain.

Berk

2hhb.pdb (409 KB) 2hhb.pdb pdb file to be use with gromos ff Berk Hess, 08/10/2010 02:42 PM

History

#1 Updated by Berk Hess over 9 years ago

Created an attachment (id=510)
pdb file to be use with gromos ff

#2 Updated by Erik Lindahl over 9 years ago

I believe this has been fixed now; the system above passes, although we should probably test the new chain merging code for more complex geometries too. Committed into release-4-5-patches.

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