Published September 3, 2021
| Version v1
Dataset
Open
Research data supporting: "A Data-Driven Dimensionality Reduction Approach to Compare and Classify Lipid Force Fields"
Creators
- 1. Politecnico di Torino
- 2. SUPSI
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.
Files
Files
(8.9 GB)
Name | Size | Download all |
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md5:48ad90e865f48a7392eea5075be9411e
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850.1 MB | Download |
md5:4b6a22936623a77ade02f58e09a1d501
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8.1 GB | Download |