Project ID: plumID:19.019
Name: FA-MetaD-JCP-Wang-et-al
Archive: https://github.com/KULL-Centre/papers/raw/main/2018/FA-MetaD-JCP-Wang-et-al/FA-MetaD-Ala3-plumed.zip
Category: bio
Keywords: Frequency adaptive metadynamics; peptide
PLUMED version: 2.5
Contributor: Kresten Lindorff-Larsen
Submitted on: 25 Apr 2019
Publication: Y. Wang, O. Valsson, P. Tiwary, M. Parrinello, K. Lindorff-Larsen, Frequency adaptive metadynamics for the calculation of rare-event kinetics. The Journal of Chemical Physics. 149 (2018)
PLUMED input files
| File | Compatible with |
|---|---|
| FA-MetaD-Ala3-plumed/plumed_FaMetaD.dat |   |
Last tested: 22 Apr 2024, 21:07:17
Project description and instructions
The zip file provide a typical example of the Frequency adaptive metadynamics method described in https://doi.org/10.1063/1.5024679 including plumed input files and instructions to run with Gromacs. Users should be able to adopt this to other situations. The used software versions are PLUMED v2.5 and GROMACS 2015.4.
Submission history
[v1] 25 Apr 2019: original submission
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