[gmx-users] Transition matrix generation

pratibha kapoor kapoorpratibha7 at gmail.com
Tue Jan 13 07:27:51 CET 2015


I have done MD simulations on my system and have generated clusters of my
interest. Now, I would like to look at the transitions between different
clusters and henceforth the most probable pathway.
Is there any inbuild software that can do this?
I have read some of the papers which have analyzed using markov state model
followed by transition path sampling. Any idea how all these can be done
using some inbuild scripts?


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