AMBER Archive (2009)

Subject: [AMBER] MM-PBSA nmode statistics

From: Dmitry Osolodkin (divanych_at_rambler.ru)
Date: Thu May 28 2009 - 06:54:18 CDT

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_at_org.chem.msu.su
Phone: +7-495-9393557
Fax: +7-495-9390290

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