Project ID: plumID:19.000
Name: VesDeltaF
Archive: https://github.com/invemichele/VESdeltaF/archive/master.zip (browse)
Category: methods
Keywords: VES, convergence, suboptimal CVs
PLUMED version: 2.6-dev
Contributor: Michele Invernizzi
Submitted on: 11 Apr 2019
Last revised: 16 Apr 2019
Publication: M. Invernizzi, M. Parrinello, Making the Best of a Bad Situation: A Multiscale Approach to Free Energy Calculation. Journal of Chemical Theory and Computation. 15, 2187–2194 (2019)
PLUMED input files
| File | Compatible with |
|---|---|
| alanine/plumed-metad.dat |   |
| alanine/plumed-ves.dat | |
| model/plumed-metad.dat | |
| model/plumed-ves.dat | |
| sodium/plumed-metad.dat |   |
| sodium/plumed-ves.dat | |
Last tested: 26 Jan 2024, 15:35:41
Project description and instructions
See the provided README file. Other useful links are the PLUMED manual for VES_DELTA_F action and https://archive.materialscloud.org/record/2019.0004/v4
Submission history
[v1] 11 Apr 2019: original submission
[v2] 16 Apr 2019: fix path in PLUMED input files
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