Dear Amber users,
While running mmpbsa.py (AMBER16) I am getting an error message:
PB Bomb in pb_aaradi(): No radius assigned for atom 2735 D1 DU
My complex contains Zn atom for which I used Cationic Dummy Atom (CaDA)
approach.
My input for MMPBSA is:
&general
startframe=1, endframe=1000, interval=1,
verbose=2, keep_files=0,
/
&pb
/
I tried to use inp=1 and radiopt=0 and 1 in the &pb and &general section.
Any ideas how to fix the problem?
best
Ula
--------------------------------------------
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 Tue Oct 31 2017 - 07:00:02 PDT
