Subject: Dock5.1.1 +gbsa scoring

From: "Carsten Detering" <detering^at^u.washington.edu>
Date: Wed, 26 May 2004 20:24:38 +0200

Dear fellow CClers,

I am having some trouble setting up a Dock5 run using the GBSA scoring. The
calculation with chemgrid/grid went fine, but when I set up the docking,
Dock5 dies right after/while reading the energy grid from grid.nrg. Dock4
has no problems using these grids.
Did anybody encounter similar problems, and knows how to fix this?

Thanks for helpful comments,

Carsten

--------------------------------------------
Carsten Detering, PhD
University of Washington
Department of Chemistry
Seattle, WA 98195
Fon 206.543.5081
Fax 206.685.8665