msmbuilder / msmbuilder-legacy

Legacy release of MSMBuilder
http://msmbuilder.org
GNU General Public License v2.0
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Using list of states in a file as an input for SaveStructures #426

Open diwakarshukla opened 10 years ago

diwakarshukla commented 10 years ago

I am using SaveStructures for making a movie from MSM. I have list of states using the sample function from MSMLib.msm_analysis and I want the xtc which contains the states in that particular order. It could be useful to include a file with list of states as an input for this function. As of now, I extract the required number of files from all states and concatenate them in the order of appearance in trajectory. Is there a function for making MSM trajectories which I am not aware of ?