Project ID: plumID:19.031
Name: Ice nucleation using PIV-based path coordinates
Archive: https://sites.google.com/site/fabiopietrucci/Home/download/plumed-input-nucleation.zip
Category: materials
Keywords: phase transitions, nucleation, TIP4P, path CV, PIV, metadynamics
PLUMED version: 2.5-dev
Contributor: Silvio Pipolo
Submitted on: 06 May 2019
Publication: S. Pipolo et al., Navigating at Will on the Water Phase Diagram, Physical Review Letters 119 (2017)
PLUMED input files
| File | Compatible with |
|---|---|
| plumed.dat |   |
Last tested: 23 Sep 2020, 15:32:21
Project description and instructions
The input files provided were used in Phys. Rev. Lett. 119, 245701 (2017) to simulate the nucleation of ice from liquid water, using the TIP4P/2005 potential and GROMACS as MD engine. Two reference pdb files are needed, providing the endpoints of the transition. PLUMED must be compiled including the PIV module (configure –enable-modules=piv).
Submission history
[v1] 06 May 2019: original submission
Badge
Click on the image below and get the code to add the badge to your website!
