Project ID: plumID:24.031
Name: DeepLNE
Archive: https://github.com/ThorbenF/DeepLNE/archive/main.zip (browse)
Category: methods
Keywords: PATHCV, OPES, OneOPES
PLUMED version: 2.9
Contributor: Thorben Fröhlking
Submitted on: 13 Nov 2024
Publication: T. Fröhlking, L. Bonati, V. Rizzi, F. L. Gervasio, Deep learning path-like collective variable for enhanced sampling molecular dynamics. The Journal of Chemical Physics. 160 (2024)

PLUMED input files

File Compatible with
analysis/RNA_OneOPES/0/plumed.dat tested on v2.10 tested on master
analysis/RNA_OneOPES/1/plumed.dat tested on v2.10 tested on master
analysis/RNA_OneOPES/2/plumed.dat tested on v2.10 tested on master
analysis/RNA_OneOPES/3/plumed.dat tested on v2.10 tested on master
analysis/RNA_OneOPES/4/plumed.dat tested on v2.10 tested on master
analysis/RNA_OneOPES/5/plumed.dat tested on v2.10 tested on master
analysis/RNA_OneOPES/6/plumed.dat tested on v2.10 tested on master
analysis/RNA_OneOPES/7/plumed.dat tested on v2.10 tested on master

Last tested: 23 Apr 2025, 10:08:13

Project description and instructions
The simulations were run with GROMACS 2022.5.

Submission history
[v1] 13 Nov 2024: original submission

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plumeDnest:24.031