amber-developers: amber9 REMD bug

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From: Carlos Simmerling <carlos.simmerling.stonybrook.edu>
Date: Wed, 15 Mar 2006 15:13:35 -0700

warning to those who might have been trying out the
REMD code in amber 9 - there is a bug due to the switch
to groupfile input. I found it last night and have it fixed,
will check into CVS tonight.
sorry about this - if you've tried the REMD code and
want details, let me know. The data shouldn't be wrong,
just not efficient.
carlos

-- 
===================================================================
Carlos L. Simmerling, Ph.D.
Associate Professor           Phone: (631) 632-1336
Center for Structural Biology Fax:   (631) 632-1555
Stony Brook University        E-mail: carlos.simmerling.stonybrook.edu
Stony Brook, NY 11794-5115
Academic year 2005 address:
Brookhaven National Laboratory
Computational Science Center
Upton, NY 11973
===================================================================

Received on Wed Apr 05 2006 - 23:49:40 PDT