Project ID: plumID:19.014
Name: MIL101(Cr) SBUs assembly
Archive: https://github.com/mme-ucl/plumed-nest-data/raw/master/mil-101_paper_setup.zip
Category: materials
Keywords: MOFs, nucleation, self-assembly, metadynamics
PLUMED version: 2.2
Contributor: Matteo Salvalaglio
Submitted on: 23 Apr 2019
Publication: L. Kollias, D. C. Cantu, M. A. Tubbs, R. Rousseau, V.-A. Glezakou, M. Salvalaglio, Molecular Level Understanding of the Free Energy Landscape in Early Stages of Metal–Organic Framework Nucleation. Journal of the American Chemical Society. 141, 6073–6081 (2019)
PLUMED input files
| File | Compatible with |
|---|---|
| …1_paper_setup/plumed_files/plumed_coordination.dat |   |
| …-101_paper_setup/plumed_files/plumed_distances.dat | |
| …l-101_paper_setup/plumed_files/plumed_gyration.dat | |
Last tested: 22 Apr 2025, 10:20:13
Project description and instructions
Input files for metadynamics simulations performed with GROMACS 5.1 patched with PLUMED 2.2.
Click here to open manual pages for actions used in this project.
Submission history
[v1] 23 Apr 2019: original submission
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