Dock5.1.1 +gbsa scoring

From: "Carsten Detering" <detering^at^u.washington.edu>
Subject: Dock5.1.1 +gbsa scoring
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