Project ID: plumID:19.006
Name: Flying Gaussian proof
Keywords: flying Gaussians, alanine dipeptide
PLUMED version: 2.5.0
Contributor: Vojtech Spiwok
Submitted on: 13 Apr 2019
Last revised: 21 Apr 2019
PLUMED input files
Last tested: 15 Oct 2019, 20:08:35
Project description and instructions
Simple simulation used to demonstrate that free energy surface can be calculated from flying Gaussians results using umbrella sampling reweighing, despite dynamics of the bias potential. Tested on OpenMPI4.0.0, Gromacs 2018.5 and Plumed2.5.0. Script provided.
[v1] 13 Apr 2019: original submission
[v2] 21 Apr 2019: zip moved to materialscloud.org
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