Project ID: plumID:19.000
Name: VesDeltaF
Archive: https://archive.materialscloud.org/file/2019.0004/v3/inputs.zip
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 tested on master
alanine/plumed-ves.dat tested on master
model/plumed-metad.dat tested on master
model/plumed-ves.dat tested on master
sodium/plumed-metad.dat tested on master with LOAD
sodium/plumed-ves.dat tested on master with LOAD

Last tested: 18 Aug 2019, 14:20:18

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/2019.0004

Submission history
[v1] 11 Apr 2019: original submission
[v2] 16 Apr 2019: fix path in PLUMED input files

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plumeDnest:19.000