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: 20 Jan 2023, 09:49:48
Project description and instructions
Input files for metadynamics simulations performed with GROMACS 5.1 patched with PLUMED 2.2.
Submission history
[v1] 23 Apr 2019: original submission
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