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 a tutorial in which the free energy
is performed using mm_pbsa.pl 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 extract_coords.mmpbsa
and binding_energy.mmpbsa in order to get the separated energy
contribution for each receptor and its ligand. Could anyone give me a
hand?
Thanks in advance
Thanks in advance
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Received on Thu May 31 2012 - 20:30:02 PDT
