Dear Sir/Madam,
In the "$AMBERHOME/src/mm_pbsa/Examples/05_MMPBSA_Decomp_Residue" directory.
I found the output file "test_statistics.out.save". I have a problem how to interpret the result.
In this run, the complexes composes of residues 100 to 210, receptor composes of residues 100 to 110, the ligand composes of residues 200 to 210.
In the output file, I found a series of energies at the delta subheading, which composes of residues 100-110 and 200-210.
What is the physical meaning of these delta values?
If I sum all the delta values under the column of "TPBTOT", is it same as the total binding energy of receptor to the ligand?
Please kindly helppppp!
Catherine
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Received on Thu Apr 18 2013 - 23:30:03 PDT
