Hello everyone
I have experienced some troubles calculating the free energy between a
protein with two receptors and two ligands, each one bounded to its
respective receptor. I have followed some tutorials on amber´s web site,
but they are intended to deal with systems where you have a receptor and
a ligand. I understand that some changes have to be done in the
mm_pbsa.pl in order to get the separated energy contribution for each
receptor and its ligand. Could anyone give me a hand?
Thanks in advance
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Received on Thu May 31 2012 - 09:30:03 PDT
