Re: [AMBER] Radius for Bromine in MMPBSA calculation

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From: john smith <johnsmithgr8.gmail.com>
Date: Mon, 25 May 2009 05:52:48 +0100

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/mm_pbsa_calceneent.pm line 652, <PDB>
line 5657.

2. For m13 ligand

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

What can be the possible solution to this problem?

Regards
-John

application/octet-stream attachment: binding_energy_m12.mmpbsa

application/octet-stream attachment: binding_energy_m12.log

application/octet-stream attachment: binding_energy_m13.mmpbsa

application/octet-stream attachment: binding_energy_m13.log

text/plain attachment: ATT00002.txt

Received on Mon May 25 2009 - 01:14:56 PDT