Project ID: plumID:19.073
Name: On the role of enthalpic and entropic contributions on the conformational free energy landscape of MIL-101(Cr) building units
Keywords: metadynamics, MOF, MIL101Cr, conformational
PLUMED version: 2.4
Contributor: Matteo Salvalaglio
Submitted on: 03 Oct 2019
Publication: L. Kollias, D. Cantu, V.-A. Glezakou, R. Rousseau, M. Salvalaglio, On the Role of Enthalpic and Entropic Contributions on the Conformational Free Energy Landscape of MIL-101(Cr) Structural Building Units, (2019)
PLUMED input files
Last tested: 02 Jul 2020, 15:28:32
Project description and instructions
PLUMED and GROMACS input files used to generate and analyse the trajectories discussed in the paper “On the role of enthalpic and entropic contributions on the conformational free energy landscape of MIL-101(Cr) building units”. Additional relevant files can be found here.
[v1] 03 Oct 2019: original submission
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