Debugging and Force Checking?

From: Brian Radak (brian.radak.accts_at_gmail.com)
Date: Mon Jul 20 2015 - 09:32:44 CDT

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I can't seem to find this in the manual; how does one turn on debug output
in NAMD? Is it via a compile flag or is there an input option?

I am also wondering if anyone has a routine to test analytical versus
numerical derivatives. Presumably this could be somewhat simply implemented
in a tcl script. If there is no such resource, would there be interest in
producing one?

Regards,
Brian

-- 
Brian Radak
Postdoctoral Scholar
University of Chicago
Department of Biochemistry & Molecular Biology
Gordon Center for Integrative Science, W323A
929 E. 57th St.
Chicago, IL 60637-1454
Tel: 773/834-2812
e-mail: radak_at_uchicago.edu

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