Dataset Open Access
Capelli, Riccardo; Gardin, Andrea; Empereur-mot, Charly; Doni, Giovanni; Pavan, Giovanni Maria
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.
Name | Size | |
---|---|---|
traj_processed.tar.gz
md5:48ad90e865f48a7392eea5075be9411e |
850.1 MB | Download |
trajectories_xtc.tar.gz
md5:4b6a22936623a77ade02f58e09a1d501 |
8.1 GB | Download |
All versions | This version | |
---|---|---|
Views | 41 | 41 |
Downloads | 19 | 19 |
Data volume | 81.1 GB | 81.1 GB |
Unique views | 29 | 29 |
Unique downloads | 12 | 12 |