[AMBER] Number of LES copies in ptraj

From: Thomas Exner <thomas.exner.uni-konstanz.de>
Date: Tue, 21 Apr 2009 16:28:41 +0100

Dear All:

I have a problem with a LES simulation. My system contains two different
LES regions with 5 copies each. The simulation runs fine. But when I try
to analyze the output with ptraj, it says "Reading in LES information:
3 copies found.". Is this a bug in ptraj or something I have to worry
about, because it means that my topology file is wrong (the
visualization shows correctly 5 copies).

Thanks,
Thomas

-- 
________________________________________________________________________________
Dr. Thomas E. Exner
Juniorprofessur "Theoretische Chemische Dynamik"
Fachbereich Chemie
Universität Konstanz
78457 Konstanz
Tel.: +49-(0)7531-882015
Fax:  +49-(0)7531-883587
Email: thomas.exner.uni-konstanz.de
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Received on Wed May 20 2009 - 12:07:25 PDT