[AMBER] inter & intra-molecular interaction energies

From: clwg <clwg.163.com>
Date: Sun, 14 Aug 2011 21:48:54 +0800 (CST)

Hello all
I am working on DNA-protein complex and stacking interactions between adjacent bases are crucial for
the stability of nucleic acids in general.
 so i want to calculate the Interaction energy between the individual bases, Intrastrand stacking interaction energy between a given base, and its two adjacent bases each present on the 5กไ and 3กไ sides of the same strand, and Interstrand stacking interaction energy between the base with adjacent bases that are present on the 5กไ and 3กไ sides of the complementary strand.
 But i am not certain whether the residue pairwise energy decomposition analysis with MM-PBSA can do this .if the MM-PBSA can't calculate. Anyone can help? thanks
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Received on Sun Aug 14 2011 - 07:00:03 PDT
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