AMBER: mm_pbsa: vertex atom mismatch

From: Marc Lindner <>
Date: Tue, 05 Feb 2008 11:47:23 +0100

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
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Received on Wed Feb 06 2008 - 06:07:28 PST
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