Dear Amber Users,
I try to calculate free-energy calculations using MMPBSA method for my
complex protein.
I have done with First part of the process. i.e, Minimization,
equilibration and Production.
When i proceed with MMPBSA step, I modified mm_pbsa.in file as per my
requirements and i run using mm_pbsa.pl file.
The command i used : *mm_pbsa.pl mm_pbsa.in > mm_pbsa.log*
But the process stopped showing the following statement.
*Can't use an undefined value as an ARRAY reference at
/applications/smp/amber/10/intelmpi-mkl/src/mm_pbsa/mm_pbsa_statistics.pmline
953.
Can't use an undefined value as an ARRAY reference at
/applications/smp/amber/10/intelmpi-mkl/src/mm_pbsa/mm_pbsa_statistics.pmline
953.
Can't use an undefined value as an ARRAY reference at
/applications/smp/amber/10/intelmpi-mkl/src/mm_pbsa/mm_pbsa_statistics.pmline
953.
Can't use an undefined value as an ARRAY reference at
/applications/smp/amber/10/intelmpi-mkl/src/mm_pbsa/mm_pbsa_statistics.pmline
953.
Can't use an undefined value as an ARRAY reference at
/applications/smp/amber/10/intelmpi-mkl/src/mm_pbsa/mm_pbsa_statistics.pmline
953.
not opened
Can't use an undefined value as an ARRAY reference at
/applications/smp/amber/10/intelmpi-mkl/src/mm_pbsa/mm_pbsa_statistics.pmline
953.
Can't use an undefined value as an ARRAY reference at
/applications/smp/amber/10/intelmpi-mkl/src/mm_pbsa/mm_pbsa_statistics.pmline
953.
Can't use an undefined value as an ARRAY reference at
/applications/smp/amber/10/intelmpi-mkl/src/mm_pbsa/mm_pbsa_statistics.pmline
953.
Can't use an undefined value as an ARRAY reference at
/applications/smp/amber/10/intelmpi-mkl/src/mm_pbsa/mm_pbsa_statistics.pmline
953.
*
Can anyone help me with this please.
With regards,
Anogna
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Received on Thu Nov 15 2012 - 00:00:02 PST
