[AMBER] MM-PBSA nmode statistics

From: Dmitry Osolodkin <divanych.rambler.ru>
Date: Thu, 28 May 2009 12:54:18 +0100

Dear AMBER gurus,

I have a problem with the analysis of nmode statistics during MM-PBSA.
The .out files are generated (see attachment), but when trying to
perform statistical analysis of them, I get the following message:

> mm_pbsa.pl nmode.mmpbsa > nmode2.log
Use of uninitialized value in multiplication (*) at
/usr/local/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
Use of uninitialized value in multiplication (*) at
/usr/local/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
Use of uninitialized value in multiplication (*) at
/usr/local/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
Use of uninitialized value in multiplication (*) at
/usr/local/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
Use of uninitialized value in multiplication (*) at
/usr/local/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
Use of uninitialized value in multiplication (*) at
/usr/local/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
Use of uninitialized value in multiplication (*) at
/usr/local/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
Use of uninitialized value in multiplication (*) at
/usr/local/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
Use of uninitialized value in multiplication (*) at
/usr/local/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
Use of uninitialized value in multiplication (*) at
/usr/local/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
Use of uninitialized value in multiplication (*) at
/usr/local/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
Use of uninitialized value in multiplication (*) at
/usr/local/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
Use of uninitialized value in multiplication (*) at
/usr/local/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
Use of uninitialized value in multiplication (*) at
/usr/local/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
Use of uninitialized value in multiplication (*) at
/usr/local/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
Use of uninitialized value in multiplication (*) at
/usr/local/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
    No data for 0+0 NM SROT 0

This message appears also when I use the mm_pbsa_statistics.pl. What
should I do to avoid this message and to perform normal calculation?

Best regards,
Dmitry Osolodkin

-- 
Dmitry Osolodkin
Researcher
Group of Computational Molecular Design
Department of Chemistry
Moscow State University
Moscow 119991 Russia
e-mail: dmitry_o.org.chem.msu.su
Phone: +7-495-9393557
Fax: +7-495-9390290


Received on Fri May 29 2009 - 01:09:05 PDT
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