Project ID: plumID:19.069
Name: Solvent Dynamics and Thermodynamics at the Crystal-Solution Interface of Ibuprofen
Keywords: ibuprofen, crystal, solvent, surface
PLUMED version: 2.3
Contributor: Matteo Salvalaglio
Submitted on: 21 Sep 2019
Publication: V. Marinova, G. P. F. Wood, I. Marziano, M. Salvalaglio, Solvent Dynamics and Thermodynamics at the Crystal–Solution Interface of Ibuprofen, Crystal Growth & Design 19, 6534–6541 (2019)
PLUMED input files
Last tested: 06 Jul 2020, 22:16:18
Project description and instructions
PLUMED files used in the analysis of MD trajectories of crystal/solution interfaces generated with GROMACS. Example surface configurations and Force field parameters are included in the archive. More info can be found here.
[v1] 21 Sep 2019: original submission
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