ADL: ADT Bug
wg420 at nyu.edu
Wed Apr 22 14:27:36 PDT 2009
I am a graduate student in NYU and using CO2 as Ligand in ADT for autodock4.
However, when I open the CO2 pdb file. The whole system shut down.
My file is:
HETATM 1 C CO2 2592 -0.001 0.002 0.001
HETATM 2 O1 CO2 2592 -0.191 0.975 0.261
HETATM 3 O2 CO2 2592 0.191 -0.977 -0.263
Could anyone tell me what is the problem?
I guess Autodock don't have the atom type for CO2 sp carbon atom. But I can find the atom list of AT4,
If that is true, How do I add the new atom type to autodock?
Thank you very much.
More information about the autodock