ADL: Help adding Zn and Cu atom types

Megan Arrington megan.arrington at gmail.com
Wed Apr 15 08:11:23 PDT 2009


hello,
I am working with CuZnSOD and Cu and Zn are both necessary parts of the
active site, so I need to add Cu and Zn although it is included in the
parameters.dat file, is only recognized as atom 'A'.  I know I need to add
these into the AD4_parameters.dat file and that I have to re-calibrate the
force field to do that, but how how does one go about that?  What should I
try in order to get AutoDockTools to recognize Zn?  Thanks again for your
help
Megan Arrington


More information about the autodock mailing list