Research data supporting: "A Data-Driven Dimensionality Reduction Approach to Compare and Classify Lipid Force Fields"

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Dataset information

Catalog

Zenodo catalog

Country of origin

EU institutions

Updated

2021.09.04 00:00

Created

2021.01.01

Available languages

English

Keywords

Datasource

Official portal for European data link

Quality scoring

Dataset description

This repository contains the data used in the paper of Capelli et al. "A Data-Driven Dimensionality Reduction Approach to Compare and Classify Lipid Force Fields", published on Journal of Physical Chemistry B (DOI: 0.1021/acs.jpcb.1c02503). The archive traj_processed.tar.gz contains the trajectories converted in xyz format with the dimensions of the box. The archive trajectories_xtc.tar.gz contains the raw trajectories (of the membranes without solvent) in gromacs xtc format with a .tpr binary file.

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2019

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