Project ID: plumID:20.020
Name: Parallel Bias Metadynamics
Archive: https://github.com/maxbonomi/plumed-nest-data/raw/master/projects-2015/PBMETAD.zip
Category: methods
Keywords: pbmetad, trp-cage, folding
PLUMED version: 2.2
Contributor: Max Bonomi
Submitted on: 06 Jul 2020
Publication: J. Pfaendtner, M. Bonomi, Efficient Sampling of High-Dimensional Free-Energy Landscapes with Parallel Bias Metadynamics, Journal of Chemical Theory and Computation 11, 5062–5067 (2015)

PLUMED input files

File Compatible with
plumed.dat tested on v2.6 tested on master
plumed_cv.dat tested on v2.6 tested on master

Last tested: 18 Oct 2020, 14:52:17

Project description and instructions
PLUMED input files used in the original PBMETAD paper to simulate Trp-cage in implicit solvent. A tpr file used with GROMACS version 5.05 is also included.

Submission history
[v1] 06 Jul 2020: original submission

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plumeDnest:20.020