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 | 16 | 16 |
| Downloads | 3 | 3 |
| Data volume | 2.6 GB | 2.6 GB |
| Unique views | 9 | 9 |
| Unique downloads | 2 | 2 |
Indexed in
- Publication date:
- September 3, 2021
- DOI:
-
- Grants:
-
European Commission:
- DYNAPOL - Modeling approaches toward bioinspired dynamic materials (818776)
- Communities:
- License (for files):
- Creative Commons Attribution 4.0 International