Hello to everyone,
I am new to the mailing list so happy to meet you all.
I am using the mmpbsa module in Amber8 to calculate the relative
stability of a molecule in 2 different conformations. I want to
extimate which part of the molecule give the biggest contribution to the
Electrostatic energy term ( in my case this term makes the difference
between the conformers). Can I divide the molecule in subunits and
calculate the electrostic interactions for each of them to see which one
has the major influence? Can I do this by MMPBSA?
Thanks
Angelo
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Received on Wed May 04 2005 - 17:53:00 PDT
