[Dock-fans] about/cmd/leaprc*

Francesco Pietra chiendarret at gmail.com
Tue Apr 28 00:26:15 PDT 2009


Are the various leaprc.* under /parameters/leap/cmd activated by
default in dock 6.2? Is that independent from activating chem.defn?

For example, in generating the grid, I have

chemical_definition_file /usr/local/dock6/parameters/chem.defn

in the input file. I wonder whether that should be made more comprehensive with

chemical_definition_file /usr/local/dock6/parameters

thanks
francesco pietra


More information about the Dock-fans mailing list