AMBER: Energy decomposition parameters

From: Angelo Pugliese <>
Date: Fri, 15 Jul 2005 09:57:21 +0100


Could anyone explain me how to specify a group of atoms in the .DECOMP
(DC=1) section of the MMPBSA input file. I am working with DNA and i
just want to know the free energy of a group of atoms, let's say the
atoms in the deoxiribose rings. I am reading the manual , I see that I
can only specify residues , I am not sure if I can specify atoms and
how....may be for instance 1.45-50.....sorry if this sounds silly :)

Thank u for your help


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Received on Fri Jul 15 2005 - 10:53:00 PDT
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