Project ID: plumID:20.020
Name: Parallel Bias Metadynamics
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
Last tested: 05 Jun 2023, 13:21:59
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.
[v1] 06 Jul 2020: original submission
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