On Sat, Feb 04, 2012, Sel Ercan wrote:
> Can anyone tell me why the values obtained from MMPBSA are so large? I
> also run mm_pbsa.pl and its results were plausible.
>
> WARNING: INCONSISTENCIES EXIST WITHIN INTERNAL POTENTIAL TERMS (BOND,
> ANGLE, AND/OR DIHED).
> CHECK YOUR INPUT FILES AND SYSTEM SETUP. THESE RESULTS
> MAY NOT BE RELIABLE (check differences)!
>
>
> WARNING: INCONSISTENCIES EXIST WITHIN 1-4 NON-BONDED TERMS.
> CHECK YOUR INPUT FILES AND SYSTEM SETUP. THESE RESULTS
> MAY NOT BE RELIABLE (check differences)!
>
Something is very wrong with your topology files or setup. But there is not
enough information given for us to figure out what. You should examine the
individual output files to look for clues.
....dac
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Received on Sun Feb 05 2012 - 10:00:02 PST
