Re: vmd-l: No probability distribution plot in ParseFEP

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.


发件人: Christian Jorgensen
发送时间: 2011-04-01 02:57:55
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
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.,1
Has this problem been encountered before?
I have run ParseFEP with the following setup:
Gram-Charlier order 0
SOS estimator
thank you very much in advance,
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