RE: vmd: ParseFEP plot mistake

From: Christian Jorgensen (
Date: Tue Mar 29 2011 - 10:08:35 CDT

Hi again Chris,
thank you very much for your reply,1

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

In forward, thanks!


From: Chris Chipot []
Sent: Tuesday, March 29, 2011 1:06 PM
To: Christian Jorgensen
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?


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

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
The light shines in the darkness, and the darkness has not overcome it.
                                                              John 1:5.

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