PLUMED-NEST

Project ID: plumID:24.022
Name: Integrating Path Sampling with Enhanced Sampling for Rare-event Kinetics
Archive: https://github.com/dhimanray/Enhanced_Sampling_Path_Sampling/archive/main.zip (browse)
Category: methods
Keywords: OPES Flooding, Weighted Ensemble, Metadynamics, Kinetics, Infrequent Metadynamics, Integrated Sampling
PLUMED version: 2.9
Contributor: Dhiman Ray
Submitted on: 16 Oct 2024
Last revised: 16 Jul 2025
Publication: D. Ray, Integrating path sampling with enhanced sampling for rare-event kinetics. The Journal of Chemical Physics. 161 (2024)

PLUMED input files

File	Compatible with
OAMe-G4/infr_metad/template/plumed.dat
…e-G4/integrated_sampling/gromacs_config/plumed.dat
…integrated_sampling/gromacs_config/plumed_init.dat
OAMe-G4/opes_flooding/template/plumed.dat
OAMe-G4/opes_z_cosang/plumed.dat
OAMe-G4/opes_z_cosang/plumed_descriptors.dat
ala2/infr_metad/template/plumed.dat
ala2/integrated_sampling/gromacs_config/plumed.dat
…integrated_sampling/gromacs_config/plumed_init.dat
ala2/only_we/gromacs_config/plumed.dat
ala2/only_we/gromacs_config/plumed_init.dat
ala2/opes_flooding/template/plumed.dat
chignolin/flooding_for_kernel/plumed.dat
chignolin/infr_metad/template/plumed.dat
…olin/integrated_sampling/gromacs_config/plumed.dat
…integrated_sampling/gromacs_config/plumed_init.dat

Last tested: 25 Jul 2025, 11:37:31

Project description and instructions
The files were used with GROMACS 2021.5 and PLUMED 2.9.

Click here to open manual pages for actions used in this project.

Submission history
[v1] 16 Oct 2024: original submission
[v2] 16 Jul 2025: updated reference

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