Dataset Open Access

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

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. 
 

Files (8.9 GB)
Name Size
traj_processed.tar.gz
md5:48ad90e865f48a7392eea5075be9411e
850.1 MB Download
trajectories_xtc.tar.gz
md5:4b6a22936623a77ade02f58e09a1d501
8.1 GB Download
16
3
views
downloads
All versions This version
Views 1616
Downloads 33
Data volume 2.6 GB2.6 GB
Unique views 99
Unique downloads 22

Share

Cite as