radical-collaboration / extasy-grlsd

Repository to hold the input data and scripts for the ExTASY gromacs-lsdmap work
1 stars 1 forks source link

move part of tica to md #69

Closed euhruska closed 6 years ago

euhruska commented 6 years ago

the first step of tica, generating features from raw trajectories could be easily parallelized and added to the md units.But this is less important than https://github.com/radical-collaboration/extasy-grlsd/issues/66