Dear all,
when I run Amber9/mm_pbsa, it gives me "MAXAT=10000 exceeded" .
As has been reporteb on the Amber Mailing list Archive (e-mail Apr 29
2004), I modified the molsurf.h file on the $AMBERHOME/src/mm_pbsa
directory and then, compiling all, I obtained the same error.
Mm_pbsa module works well with the ligand but when I use the receptor or
the complex (17000 atoms) other errors like this occurred:
Use of uninitialized value in multiplication (*)
at /home/gianni/programmi/amber
9/src/mm_pbsa/mm_pbsa_statistics.pm line 1376.
Use of uninitialized value in multiplication (*)
at /home/gianni/programmi/amber
9/src/mm_pbsa/mm_pbsa_statistics.pm line 1376.
Use of uninitialized value in multiplication (*)
at /home/gianni/programmi/amber
9/src/mm_pbsa/mm_pbsa_statistics.pm line 1344.
Use of uninitialized value in multiplication (*)
at /home/gianni/programmi/amber
9/src/mm_pbsa/mm_pbsa_statistics.pm line 1344.
Use of uninitialized value in multiplication (*)
at /home/gianni/programmi/amber
9/src/mm_pbsa/mm_pbsa_statistics.pm line 1475.
Use of uninitialized value in multiplication (*)
at /home/gianni/programmi/amber
9/src/mm_pbsa/mm_pbsa_statistics.pm line 1475.
No skew or curtosis when zero variance in moment
No skew or curtosis when zero variance in moment
Use of uninitialized value in addition (+)
at /home/gianni/programmi/amber9/src/
mm_pbsa/mm_pbsa_statistics.pm line 1761.
Use of uninitialized value in addition (+)
at /home/gianni/programmi/amber9/src/
mm_pbsa/mm_pbsa_statistics.pm line 1761.
Use of uninitialized value in subtraction (-)
at /home/gianni/programmi/amber9/s
rc/mm_pbsa/mm_pbsa_statistics.pm line 1773.
Use of uninitialized value in subtraction (-)
at /home/gianni/programmi/amber9/s
rc/mm_pbsa/mm_pbsa_statistics.pm line 1773.
No skew or curtosis when zero variance in moment
Use of uninitialized value in addition (+)
at /home/gianni/programmi/amber9/src/
mm_pbsa/mm_pbsa_statistics.pm line 1761.
Use of uninitialized value in addition (+)
at /home/gianni/programmi/amber9/src/
mm_pbsa/mm_pbsa_statistics.pm line 1761.
Use of uninitialized value in subtraction (-)
at /home/gianni/programmi/amber9/s
rc/mm_pbsa/mm_pbsa_statistics.pm line 1773.
Use of uninitialized value in subtraction (-)
at /home/gianni/programmi/amber9/s
rc/mm_pbsa/mm_pbsa_statistics.pm line 1773.
No skew or curtosis when zero variance in moment
Use of uninitialized value in addition (+)
at /home/gianni/programmi/amber9/src/
mm_pbsa/mm_pbsa_statistics.pm line 1761.
Use of uninitialized value in addition (+)
at /home/gianni/programmi/amber9/src/
mm_pbsa/mm_pbsa_statistics.pm line 1761.
Use of uninitialized value in subtraction (-)
at /home/gianni/programmi/amber9/s
rc/mm_pbsa/mm_pbsa_statistics.pm line 1773.
Use of uninitialized value in subtraction (-)
at /home/gianni/programmi/amber9/s
rc/mm_pbsa/mm_pbsa_statistics.pm line 1773.
No skew or curtosis when zero variance in moment
Another problem occurred on tleap when I tried to source leaprc.ff02,
the programs doesn't find the file.
Any adivce will be appreciated, thanks in advance!
Giovanni Grazioso
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Received on Sun Jun 18 2006 - 06:07:07 PDT
