Project ID: plumID:19.039
Name: Funnel Metadynamics
Archive: https://github.com/limresgrp/FMAP_v1/raw/master/input_example.zip
Category: bio
Keywords: funnel-metadynamics, absolute binding free energy, ligand-receptor complexes
PLUMED version: 2.6-dev
Contributor: Vittorio Limongelli
Submitted on: 07 May 2019
Last revised: 21 Feb 2020
Publication: V. Limongelli, M. Bonomi, M. Parrinello, Funnel metadynamics as accurate binding free-energy method. Proceedings of the National Academy of Sciences. 110, 6358–6363 (2013)
PLUMED input files
| File | Compatible with |
|---|---|
| plumed.dat |   |
Last tested: 22 Apr 2024, 21:07:03
Project description and instructions
Funnel-Metadynamics has been incorporated in PLUMED as a module. Please follow the instructions on how to install modules in PLUMED and add –enable-modules=funnel to configure PLUMED with Funnel-Metadynamics.
Submission history
[v1] 07 May 2019: original submission
[v2] 21 Feb 2020: separate module
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