[Apbs-users] Binding energy calculation tutorial

[ming h. <yon...@gm...>]

Hi,

I am using APBS version 4.0, and when i tried the 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 if it's supposed to be 19.96, then what should i do???)

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!

Regards,
Ming Hui