Project ID: plumID:22.001
Name: Improving the Efficiency of Variationally Enhanced Sampling with Wavelet-Based Bias Potentials
Archive: https://zenodo.org/record/5881920/files/bpampel/ves_wavelets-plumed-nest-v1.0.zip
Category: methods
Keywords: enhanced sampling, variationally enhanced sampling, ves, metadynamics, bias representation, wavelets, adam
PLUMED version: 2.8
Contributor: Benjamin Pampel
Submitted on: 20 Jan 2022
Publication: B. Pampel, O. Valsson, Improving the Efficiency of Variationally Enhanced Sampling with Wavelet-Based Bias Potentials. Journal of Chemical Theory and Computation. 18, 4127–4141 (2022)

PLUMED input files

File Compatible with
…_md_linearexpansion/1d-double_well/plumed_sym8.dat tested on v2.8 tested on master
…inearexpansion/1d-double_well/plumed_gaussians.dat tested on v2.8 tested on master
…_linearexpansion/1d-double_well/plumed_splines.dat tested on v2.8 tested on master
…linearexpansion/1d-double_well/plumed_legendre.dat tested on v2.8 tested on master
…_md_linearexpansion/2d-wolfe_quapp/plumed_sym8.dat tested on v2.8 tested on master
…inearexpansion/2d-wolfe_quapp/plumed_gaussians.dat tested on v2.8 tested on master
…_linearexpansion/2d-wolfe_quapp/plumed_splines.dat tested on v2.8 tested on master
…linearexpansion/2d-wolfe_quapp/plumed_legendre.dat tested on v2.8 tested on master
…arexpansion/2d-wolfe_quapp_rotated/plumed_sym8.dat tested on v2.8 tested on master
…ansion/2d-wolfe_quapp_rotated/plumed_gaussians.dat tested on v2.8 tested on master
…xpansion/2d-wolfe_quapp_rotated/plumed_splines.dat tested on v2.8 tested on master
…pansion/2d-wolfe_quapp_rotated/plumed_legendre.dat tested on v2.8 tested on master
lammps/CaCO3/sym10/plumed.dat tested on v2.8 tested on master
lammps/CaCO3/chebyshev/plumed.dat tested on v2.8 tested on master
lammps/CaCO3/metad/plumed.0.dat tested on v2.8 tested on master
lammps/CaCO3/metad/plumed.1.dat tested on v2.8 tested on master
lammps/CaCO3/metad/plumed.2.dat tested on v2.8 tested on master
lammps/CaCO3/metad/plumed.3.dat tested on v2.8 tested on master
lammps/CaCO3/metad/plumed.4.dat tested on v2.8 tested on master
lammps/CaCO3/metad/plumed.5.dat tested on v2.8 tested on master

Last tested: 27 Sep 2022, 18:19:57

Project description and instructions
See README.md for instructions.

Submission history
[v1] 20 Jan 2022: original submission

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plumeDnest:22.001