[Emma-news] EMMA Release 1.4

Antonia Mey ppxasjsm at nottingham.ac.uk
Wed Jun 12 04:46:52 PDT 2013


Dear Users,

A new release of EMMA is now available on www.simtk.org/home/emma.
With the new release two new functionalities are available:

1. The TICA module
A tool that helps to identify the best slow coordinates of the system in order to achieve optimal Markov model construction. 

The corresponding publication can be found here:
http://arxiv.org/abs/1302.6614 (The final version has been accepted for publication and will appear shortly)

2. An improved transition matrix sampling algorithm:
The estimator makes use of the knowledge of a given stationary distribution in order to give a more accurate estimate on a transition matrix.

The corresponding publication can be found here:
http://jcp.aip.org/resource/1/jcpsa6/v138/i16/p164113_s1

For use of the new functionality please refer to the manual/tutorial. 

Best,
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