Hello, all.
I did a test with MMPBSA.pl in AMBER10 and AMBER11.
For the amber10 version, everything looked fine and I got a normal end.
For the amber11 version, it ended with the error "Use of uninitialized value
in concatenation (.) or string at /users/kezh/amber11/src/mm_pbsa/
mm_pbsa_createinput.pm line 596."
I did check the file "mm_pbsa_createinput.pm", and found the "INP" is not
assigned with a value.
Then in the pbsa_*.in file, there is a line "ipb = 2, inp = ,
dielc = 1.0,".
However, I didn't find the corresponding option in mmpbsa.in in the example
of MMPBSA.
Is there something I missed?
Any help would be appreciated!
Thank you.
--
Zhihong Ke
University of Nex Mexico
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Received on Tue Jan 11 2011 - 10:00:03 PST
