[AMBER] bad atom type for Mn after running mmpbsa

From: Urszula Uciechowska <urszula.uciechowska.biotech.ug.edu.pl>
Date: Wed, 20 Jun 2018 11:49:15 +0200

Dear Amber users,

I run MD simulations for 100ns for a GAG-receptor-Mn complex. After
running mmpbsa.py I am obtaining an error message:

 bad atom type: Mn

The trajectory files are ok and MD simulations run without any errors. I
am also able to save the toplogy files for simulations in xleap, the
problem occurs after running mmgbsa. This is very strange error for me I
have no idea how to understand it and how to fix it.

 I will appreciate any help.


Urszula Uciechowska PhD
University of Gdansk and Medical Univesity of Gdansk
Department of Molecular and Cellular Biology
ul. Abrahama 58
80-307 Gdańsk

Ta wiadomość została wysłana z serwera Uniwersytetu Gdańskiego

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Received on Wed Jun 20 2018 - 03:00:03 PDT
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