From: liupeng012_at_mail.nankai.edu.cn
Date: Thu Mar 31 2011 - 21:08:46 CDT
Dear Christian:
The empty of probobility distribution is induced by the rareness of your sample point in you data.
Best Wishes.
liupeng
2011-04-01
liupeng012_at_mail.nankai.edu.cn
发件人： Christian Jorgensen
发送时间： 2011-04-01 02:57:55
收件人： namd-l_at_ks.uiuc.edu
抄送：
主题： namd-l: vmd-l: No probability distribution plot in ParseFEP
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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