Edinburgh Research Explorer

ISST Deca-Alanine

Dataset

Related Edinburgh Organisations

PublisherEdinburgh DataShare
Date made available29 Jan 2019

Abstract

This dataset contains a deca-alanine trajectory analysed in paper "Local and Global Perspectives on Diffusion Maps in the Analysis of Molecular Systems" by Trstanova et.al. 2019. The trajectory was obtained using an implementation of the Infinite Switch Simulated Tempering method (Martinsson et. al 2018) within the MIST library with GROMACS.

Data Citation

Martinsson, Anton; Trstanova, Zofia. (2019). ISST Deca-Alanine, [dataset]. University of Edinburgh. School of Mathematics. https://doi.org/10.7488/ds/2491.

ID: 79796159