What are the units of energies of HADDOCK?

HADDOCK
1

Hi,

I would like to know what are the units of energies (i.e. Binding energy) of docked complexes of HADDOCK.

Example:

" REMARK Symmetry energy: 0
REMARK ===============================================================
REMARK Desolvation energy: 38.7798
REMARK Internal energy free molecules: 12174
REMARK Internal energy complex: -42435
REMARK Binding energy: -55193.2
REMARK ==============================================================="

2

Check the following thread: Why HADDOCK Score doesn't have unit?

I would not trust any reported energies to reflect real binding affinities.

3

There was an error in the processing of the data. Your have been notified by email about the possible cause.when i submitted my data then it showed that line what shoud i do can any one help me?

4

Did you get an email about the error? It would help to know more about the error than only this line.
If you did not get an email, send us your userid and the run name concerned by the error.