Dear amber users,
I checked the sander complex file and mmpbsa complains about the atom
mismatch, I do not really understand why there is an atom mismatch? How
to check where this mismatch is and correct it? I am quite sure that the
topology and crd files are correct? Could the magnesium ion cause the
error?
INFO: Old style inpcrd file read
FATAL: NATOM mismatch in coord and topology files
Thank you in advance for any suggestions
best
Urszula
--------------------------------------------
Urszula Uciechowska PhD
University of Gdansk and Medical Univesity of Gdansk
Department of Molecular and Cellular Biology
ul. Abrahama 58
80-307 Gdańsk
Poland
-----------------------------------------
Ta wiadomość została wysłana z serwera Uniwersytetu Gdańskiego
http://www.ug.edu.pl/
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Received on Thu Jun 14 2018 - 23:00:03 PDT
