Project ID: plumID:25.010
Name: Kinetic rates calculation with Ratchet&Pawl MD
Archive: https://github.com/riccardocapelli/papers_data/raw/refs/heads/master/rMD_kinetics2025/input_data.zip
Category: methods
Keywords: kinetics, ligand binding, ABMD, ratchet&pawl MD
PLUMED version: 2.9
Contributor: Riccardo Capelli
Submitted on: 15 Apr 2025
Publication: unpublished
PLUMED input files
| File | Compatible with |
|---|---|
| input_plumed/plumed_aa.dat |   |
| input_plumed/plumed_mego.dat | |
Last tested: 22 Apr 2025, 09:54:38
Project description and instructions
All the input files for GROMACS (we used the 2024.4 version), PLUMED, and the analysis scripts are in the archive.
Click here to open manual pages for actions used in this project.
Submission history
[v1] 15 Apr 2025: original submission
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