RE: vmd: ParseFEP plot mistake

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

http://www.mediafire.com/#haad0dp0h7u15,1

I have uploaded the forward and backward fepout files as
you requested.

In forward, thanks!

Christian

________________________________________
From: Chris Chipot [chipot_at_ks.uiuc.edu]
Sent: Tuesday, March 29, 2011 1:06 PM
To: Christian Jorgensen
Cc: namd-l_at_ks.uiuc.edu
Subject: Re: namd-l: vmd: ParseFEP plot mistake

Dear Christian,

please, make your forward and backward fepout files available, so that
we can assess whether or not this apparent fluke is reproducible?

Thanks,

Chris Chipot

On 3/29/11 4:45 AM, Christian Jorgensen wrote:

Hi all,
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
http://www.mediafire.com/?haad0dp0h7u15

Has this error come to your attention before?

Thanks
Christian

--
_______________________________________________________________________
Chris Chipot, Ph.D.
Theoretical and Computational Biophysics Group
Beckman Institute
University of Illinois at Urbana-Champaign
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                            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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