Project ID: plumID:25.028
Name: Designing transferable transition state guided collective variable via interpretable machine learning model for enhanced sampling. A case study on polymer collapse transition
Archive: https://github.com/saikat-ai/polymer_enhanced_sampling/archive/refs/heads/main.zip
Category: bio
Keywords: metadynamics, polymer collapse transition, transferable CV,interpretable ML-model
PLUMED version: 2.7
Contributor: Saikat Dhibar and Biman Jana
Submitted on: 28 Oct 2025
Publication: unpublished
PLUMED input files
| File | Compatible with |
|---|---|
| C60/plumed1.dat |   |
| C60/plumed_rg.dat | |
| C80/plumed1.dat | |
Last tested: 28 Oct 2025, 08:53:52
Project description and instructions
Simulations were performed with GROMACS 2020.6 and plumed 2.7.3.
Click here to open manual pages for actions used in this project.
Submission history
[v1] 28 Oct 2025: original submission
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