Using MDAnalysis for Efficient Simulation Pre- and Post-Processing
Published in Zenodo (CERN European Organization for Nuclear Research) • May 26, 2021
NobleIDNI9P39W04R10S44
Authors:
Irfan Alibay
Abstract
Would you like to make the analysis of your simulation data much easier and repeatable, and even be able to run it efficiently on a supercomputer? MDAnalysis is an object-oriented Python library that will assist you in the analysis of trajectories from molecular dynamics (MD) simulations in many pop...
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