Grid-convert: Difference between revisions

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Revision as of 20:25, 8 October 2012

3.2.4 GRID-CONVERT

AUTHOR: Kaushik Raha, John J. Irwin (Derived from Todd Ewing's GRID Program)

DESCRIPTION:

This consists of programs grid-convert and grid-convrds that convert grids generated by chemgrid, solvgrid and DelPhi into DOCK6 readable grids.

USAGE: grid-convert -i gconv.in >& gconv.out

INPUT FILES:

  1. gconv.in; input file with parameters
  2. vdw.defn; vdw parameters file
  3. conv.defn; atomtype definition file