AMBER Archive (2008)

Subject: AMBER: MM-PBSA problem : Use of uninitialized value in multiplicatiom with Amber10

From: Carra, Claudio (JSC-SK)[USRA] (Claudio.Carra-1_at_nasa.gov)
Date: Wed Oct 01 2008 - 12:05:55 CDT

Dear All,
I got the following error in the MM-PBSA calculation with amber10,
modeling a system of ~12,000 atoms.

[...]
Use of uninitialized value in multiplication (*) at
/home/bin/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1423.
Use of uninitialized value in multiplication (*) at
/home/bin/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1423.
Use of uninitialized value in multiplication (*) at
/home/bin/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1396.
Use of uninitialized value in multiplication (*) at
/home/bin/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1396.
Use of uninitialized value in multiplication (*) at
/home/bin/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1396.
Use of uninitialized value in multiplication (*) at
/home/bin/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1378.
Use of uninitialized value in multiplication (*) at
/home//bin/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1542.
Use of uninitialized value in multiplication (*) at
/home/bin/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1542.
Use of uninitialized value in multiplication (*) at
/home/bin/amber10/src/mm_pbsa/mm_pbsa_statistics.pm line 1542.
[...]

and I don't get the final results. The same script works
perfectly for a system of smaller dimension.
do you have any idea on the origin of this problem
and how to fix it?
thanks a lot
regards
claudio

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