Project ID: plumID:23.036
Name: Is the local ion density sufficient to drive NaCl nucleation in vacuum and in water?
Archive: https://github.com/ruiyuwangwork/NaCl_nucleation_melt_aq/raw/main/nacl_nucleation_melt_aq.zip
Category: bio
Keywords: NaCl, nucleation, metadynamics
PLUMED version: 2.8.1
Contributor: Ruiyu Wang
Submitted on: 12 Sep 2023
Publication: R. Wang, S. Mehdi, Z. Zou, P. Tiwary, Is the Local Ion Density Sufficient to Drive NaCl Nucleation from the Melt and Aqueous Solution? The Journal of Physical Chemistry B. 128, 1012–1021 (2024)

PLUMED input files

File Compatible with
aq/plumed.dat tested on v2.9 tested on master
melt/plumed.dat tested on v2.9 tested on master

Last tested: 28 Feb 2024, 06:46:21

Project description and instructions
The zip file contains essential files to run metadynamics simulations of NaCl nucleation from the melt (the “melt” folder) and aqueous solution (the “aq” folder). Software used are GROMACS-2022.3 and PLUMED-2.8.1.

Submission history
[v1] 12 Sep 2023: original submission

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plumeDnest:23.036