Re: amber-developers: ti_ggcc tests.. vlimit errors?

From: Michael Crowley <>
Date: Thu, 30 Mar 2006 00:22:10 -0700

Yes, we should change the vlimit format in my opinion.
We should also change that test case but it is too late for that. It
should not be giving vlimit errors as noted by someone else earlier. I
think it is from an improper setup of the box, it is a truncated
octahedron but is using cubic boundary conditions. It is not a simple fix.

Physical mail: Dr. Michael F. Crowley
                 Department of Molecular Biology, TPC6
                 The Scripps Research Institute
                 10550 North Torrey Pines Road
                 La Jolla, California 92037

Electronic mail:
Telephone: 858/784-9290
Fax: 858/784-8688
Received on Wed Apr 05 2006 - 23:49:33 PDT
Custom Search