AMBER Archive (2009)

Subject: RE: [AMBER] about mm-pbsa

From: Wei Huang (whuang_at_cct.lsu.edu)
Date: Mon Mar 16 2009 - 10:17:30 CDT

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_at_ambermd.org [mailto:amber-bounces_at_ambermd.org] On Behalf Of 廖青华
Sent: Monday, March 16, 2009 10:03 AM
To: amber_at_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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