Dear amber users,
I have a problem with calculating enthalpy. During calculation in the commandline appears: vertex atom mismatch, atom: x, vertex atom: y. Is this an error or a warning. Can I ignore it or do I have to correct this mismatch and if, HOW? The calculation finished with a reasonable result.
I read the FAQs and searched the archieve, but I can just find related problems without an answer to my question.
Thanks in advance Marc
--
Psssst! Schon vom neuen GMX MultiMessenger gehört?
Der kann`s mit allen: http://www.gmx.net/de/go/multimessenger
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Received on Wed Feb 06 2008 - 06:07:28 PST
