Date: Thu Mar 31 2011 - 21:08:46 CDT
The empty of probobility distribution is induced by the rareness of your sample point in you data.
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
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.
Has this problem been encountered before?
I have run ParseFEP with the following setup:
Gram-Charlier order 0
thank you very much in advance,
__________ Information from ESET NOD32 Antivirus, version of virus signature database 5998 (20110329) __________
The message was checked by ESET NOD32 Antivirus.
This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:20:04 CST