dear all,
I did a per-residue decompostion with mm_pbsa.pl in amber9. The total contribution from each residue to overall delta binding free energies
seemed to be fine. However, when I chekced the backone and sidechain energy decomposition for each residue I found that one glycine residue had a non-zero side chain contribution (about -0.1kcal). Supposedly, the residue of glycine has no sidechain, thus its sidechain contribution should be zero. Can anybody give me some hints about this inconsistency of glycine sidechain contribution.
thanks
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Received on Mon Mar 26 2012 - 18:30:04 PDT
