On Sun, Mar 04, 2012, Holger Gohlke wrote:
>
> In $AMBERHOME/src/mm_pbsa/Examples/05_MMPBSA_Decomp_Residue, the
> differences arise from the PB polar part whereas the surface part from
> GB agrees.
Should we make this into a test case? I am pretty sure that none of the other
developers know to re-run these Examples when the code changes.
>
> We will compare our current version against the olderDusseldorf branch,
> also looking at idecomp1.
...thanks!....dave
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Received on Sat Mar 03 2012 - 17:30:02 PST
