ADL: Questions about autodock

SunChunlai springersun at hotmail.com
Wed Mar 19 07:14:43 PDT 2008


Dear docking users:
After I finished docking, I found the conformation information is not similar as that in the tutorial (Using AutoDock 4 with AutoDockTools:A Tutorial, page 55 ). Here is my result:
 
Binding-energy:9840000.0
Intermol-energy:-2.19
Vdw-hb-desolv-energy:-2.05
Electrostatic energy:-0.17
Moving-ligand-fixed-receptor:-2.22
Moving-ligand-moving-receptor:0.03
Total-internal:9840000.0
Ligand-internal:-1.33
Receptor-internal:9840000.0
Torsional-energy:4.39
Unbound-energy:-1.08
clRMS:0.0
refRMS:63.59
rseed1: None
rseed2: None
 
No docking-energy and inhib-constant in the result and the binding energy is huge and positive. Also, when I changed different conformations, the value of the binding energy, total internal, receptor-internal, clRMS, rseed1 and rseed2 didn’t change.
 
Do you guys know what happened to my docking? Thanks a lot.
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