Hi,
I have a question about the output produced by the MMPBSA.py script from an
alanine scanning.
I think the value of the standard error is wrong - mostly because it is
really high.
RESULT OF ALANINE SCANNING: (L12A MUTANT:) DELTA DELTA G binding = 0.3974
+/- 24.2708
I have taken the output files and run them through my own matlab script.
If I subtract the two columns with the "DELTA G binding" numbers I get:
AVG -0.397356
STD 0.937653
The average is the same, but the STD is very different. Does anybody have a
comment on this?
I have performed this calculation of a lot of residues in my complex and
they all produce +/- around 24 to 25, no matter the value of the ddG.
Best regards,
Jesper
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Received on Mon Apr 04 2011 - 07:30:07 PDT
