Project ID: plumID:25.015
Name: Assessment of Force Fields for Describing Conformational Polymorphic Crystals of ROY
Archive: https://zenodo.org/records/15652662/files/ROY-ForceField-PLUMED-NEST-1.1.zip
Category: materials
Keywords: Molecular crystal, Force Field, Collective Variable
PLUMED version: 2.8.2
Contributor: Pradip Si and Omar Valsson
Submitted on: 17 Jun 2025
Publication: unpublished
PLUMED input files
| File | Compatible with |
|---|---|
| PLUMED_Inputs/plumed_bond.dat |   |
| PLUMED_Inputs/plumed_distance.dat |   |
| PLUMED_Inputs/plumed_torsion.dat | |
Last tested: 19 Jun 2025, 09:30:48
Project description and instructions
The simulations and the PLUMED analysis can be performed using .gro, .mdp, .top, and .dat files. GROMACS 2022.5 MD code with PLUMED 2.8.2.
Click here to open manual pages for actions used in this project.
Submission history
[v1] 17 Jun 2025: original submission
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