Hi qinghua,
>From your log file, it tells that there is no parameter for an atom in your pdb file. Please search the mailinglist archive . There are several posters talking about how to deal with this problem.
Cheers,
Wei
-----Original Message-----
From: amber-bounces.ambermd.org [mailto:amber-bounces.ambermd.org] On Behalf Of 廖青华
Sent: Monday, March 16, 2009 10:03 AM
To: amber.ambermd.org
Subject: [AMBER] about mm-pbsa
Hi amber users,
I have a problems when I running mm-pbsa. It shows the error in the terminal window like this:
Died at /usr/local/amber9/src/mm_pbsa/mm_pbsa_calceneent.pm line 498, <PDB> line 5977.
And the attached file is the output file generated during running mm-pbsa, can anyone give me
the reasons or some suggestions? Thanks very much!
I am sorry I forgot to load the attachment, so I send once more.
All the best!
Qinghua Liao
from Tianjin University, China
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Received on Wed Mar 18 2009 - 01:09:31 PDT
