From: Christian Jorgensen (christian.jorgensen_at_merton.ox.ac.uk)
Date: Tue Mar 29 2011 - 10:08:35 CDT
Hi again Chris,
thank you very much for your reply
I have uploaded the forward and backward fepout files as
In forward, thanks!
From: Chris Chipot [chipot_at_ks.uiuc.edu]
Sent: Tuesday, March 29, 2011 1:06 PM
To: Christian Jorgensen
Subject: Re: namd-l: vmd: ParseFEP plot mistake
please, make your forward and backward fepout files available, so that
we can assess whether or not this apparent fluke is reproducible?
On 3/29/11 4:45 AM, Christian Jorgensen wrote:
when I run the VMD 1.9 ParseFEP plugin for a converged run
my grace output is faulty in that the probability distribution
sheet gets superimposed on the FEP sheet of graphs,
i.e. I have two layers of graphs plotted on one sheet,
with the other sheet being empty
Please find a link with the 4 plots output in a ParseFEP analysis
Has this error come to your attention before?
-- _______________________________________________________________________ Chris Chipot, Ph.D. Theoretical and Computational Biophysics Group Beckman Institute University of Illinois at Urbana-Champaign 405 North Mathews Phone: (217) 244-5711 Urbana, Illinois 61801 Fax: (217) 244-6078 E-mail: chipot_at_ks.uiuc.edu<mailto:chipot_at_ks.uiuc.edu> Christophe.Chipot_at_edam.uhp-nancy.fr<mailto:Christophe.Chipot_at_edam.uhp-nancy.fr> Web: http://www.ks.uiuc.edu/~chipot http://www.edam.uhp-nancy.fr The light shines in the darkness, and the darkness has not overcome it. John 1:5. _______________________________________________________________________
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