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
