[Dock-fans] about/cmd/leaprc*
Scott Brozell
sbrozell at rci.rutgers.edu
Wed Apr 29 14:30:41 PDT 2009
Hi,
On Tue, Apr 28, 2009 at 09:26:15AM +0200, Francesco Pietra wrote:
> Are the various leaprc.* under /parameters/leap/cmd activated by
> default in dock 6.2? Is that independent from activating chem.defn?
No; yes.
parameters/leap/cmd is only for Amber score.
> 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
No.
Scott
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