Hi,
I am trying to run mm_pbsa. My system is a DNA molecules with K+ ions.
I dont get any problems while creating coordinates however when I run
the stability script it always gives me the error message
Use of uninitialized value in multiplication (*) at
/usr/local/amber9/src/mm_pbsa/mm_pbsa_statistics.pm line 1472.
Use of uninitialized value in multiplication (*) at
/usr/local/amber9/src/mm_pbsa/mm_pbsa_statistics.pm line 1472.
No data for 0+0 MM VDWNB 0
I have looked into the mm_pbsa_stability.out file and the only warnings
I have are
=>> Reading files
Reading b19_com.all.out
WARNING: Missing VDWNB for MM in 0 -> Taken from -1
Reading b19_rec.all.out
Checking CALC
WARNING: Missing VDWNB for MM in 0 -> Taken from -1
Reading b19_lig.all.out
Checking CALC
I should also mention that I have added K+ in
/usr/local/amber9/src/mm_pbsa/mm_pbsa_calceneent.pm
Can any one point me in the right direction as to what I might be doing
wrong ?
Many thanks
Shozeb
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Received on Wed Oct 04 2006 - 06:07:19 PDT
