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AMBER Archive (2008)Subject: AMBER: mm_pbsa: vertex atom mismatch
From: Marc Lindner (nightfly21_at_gmx.de)
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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