Project ID: plumID:19.014
Name: MIL101(Cr) SBUs assembly
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 tested on v2.9 tested on master
…-101_paper_setup/plumed_files/plumed_distances.dat tested on v2.9 tested on master
…l-101_paper_setup/plumed_files/plumed_gyration.dat tested on v2.9 tested on master

Last tested: 18 Jun 2024, 14:40:48

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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