Project ID: plumID:21.035
Name: CmuMD simulations of NaCl(aq) at NaCl
Archive: https://github.com/aaronrfinney/plumed-nest/raw/main/CmuMD-NaCl.zip
Category: chemistry
Keywords: CmuMD, interface
PLUMED version: 2.5.1
Contributor: Aaron Finney
Submitted on: 31 Aug 2021
Publication: A. R. Finney, M. Salvalaglio, Bridging the gap between mesoscopic and molecular models of solid/liquid interfaces out-of-equilibrium. Chemical Engineering Research and Design. 180, 285–295 (2022)
PLUMED input files
| File | Compatible with |
|---|---|
| CmuMD-NaCl/flat-plumed.dat |    |
| CmuMD-NaCl/rough-plumed.dat | |
Last tested: 07 Oct 2024, 17:44:09
Project description and instructions
Run using GROMACS (2018.6) according to e.g., gmx mdrun -deffnm cmumd -plumed flat-plumed.dat.
Submission history
[v1] 31 Aug 2021: original submission
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