I am using APBS version 4.0, and when i tried the online binding energy calculation tutorial, I got a value of 5.82 kJ/mol.
However, I'm not sure which tutorial is applicable to this version of apbs, i.e. is this answer correct or should it be 19.96kJ/mol?
(and how does one reconcilate the 2 values?)
Also, for the input file the comment says the fine grid should be centered on the complex(mol 3), however it seems that in the input file itself it centers on the ligand (mol 1)?
Sorry for the bother, I would really appreciate the help!
Ming Hui