[gmx-users] Steps for Markov State Modelling

[Dallas Warren]

https://www.google.com/search?hl=&site=&q=MSM+analysis+%20Frank+Noe

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a
nail.


On Fri, 15 Mar 2019 at 06:57, Soham Sarkar <soham9038 at gmail.com> wrote:

> Dear all,
>        I have a protein trajectory in xtc format. I want to do the MSM
> analysis on this trajectory to see how the process is going on and the
> meta-stable states. I have followed the Video series by Frank Noe and team
> on MSM, but it is not clear to me how to start it. I have some questions,
> 1) What are the python packages that I need to install?
> 2) How should I start it?
> 3) What kind of data they have generated?
> Any one with the introductory steps of MSM analysis, any link or hand-on
> tutorial video is highly appreciated.
> - Soham
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