AMBER Archive (2009)

Subject: Re: [AMBER] Radius for Bromine in MMPBSA calculation

From: john smith (
Date: Sun May 24 2009 - 23:52:48 CDT

Dr. Luo

I have attached the mmpbsa input files and the log files for the two
ligands for which i am not able to complete the calculation due to
error in bromine radius.

The error which i recievedat the terminal is as follows
1. For m12 ligand

Died at /opt/amber10/src/mm_pbsa/ line 652, <PDB>
line 5657.

2. For m13 ligand

Died at /opt/amber10/src/mm_pbsa/ line 652, <PDB>
line 5659.

What can be the possible solution to this problem?


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