[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
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