From: Christian Jorgensen (christian.jorgensen_at_merton.ox.ac.uk)
Date: Thu Mar 31 2011 - 13:24:27 CDT
Hi all,
Having received an updated ParseFEP.tcl file
I have analysed my runs again, which solved the
issue I brought up in my last query
http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l/13982.html
However, when I analyse my (converged) run with ParseFEP
I still do not manage to get it output the Probability distribution
function plots in XMGrace. It plots the free energy data, but
not the P_0 and P_1 distributions.
http://www.mediafire.com/#f75wchmxbe5e6,1
Has this problem been encountered before?
I have run ParseFEP with the following setup:
Gram-Charlier order 0
Display
SOS estimator
thank you very much in advance,
Christian
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