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AMBER Archive (2006)Subject: AMBER: regarding PBCAL in MM-PBSA
From: Cenk Andac (cenk_andac_at_yahoo.com)
Dear Amber community,
I was just wondering how one would go about interpretation of PBCAL values (in MMPBSA computations) for receptor and complex. PBCAL for my receptor has a more negative value than PBCAL for the complex. Does this mean that the complex experiences a lower dielectric lattice due to some water molecules replaced by the ligand in the binding site?
best regards,
jenk.
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