Input files and data for path generation of alanine dipeptide isomerization in virtual reality

  • Mike O'Connor (Creator)

Dataset

Description

The input files and resulting data for the accelerated sampling of the isomerization of alanine dipeptide used in the thesis: "Accelerated Sampling Methods for High Dimensional Molecular Systems", Mike O'Connor, University of Bristol.
Date made available18 Dec 2018
PublisherZenodo

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