Bugs item #1822026, was opened at 2007-10-29 11:58
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Category: Commands / Extensions
Group: v 0.2.0
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Casper Steinmann (csteinmann)
Assigned to: Nobody/Anonymous (nobody)
Summary: Crash related to Force Field Relaxation of Water
Initial Comment:
After upgrading to 0.2 I cant seem to relax water molecules using the built in force field relaxation routine. Avogadro simply crashes.
To reproduce this, simply draw a couple of water molecules using the built in tools and hit “Optimize geometry…”
If using a molecule where oxygen is part of it, it appears to work without a problem.
You can respond by visiting:
https://sourceforge.net/tracker/?func=detail&atid=835077&aid=1822026&group_id=165310