PLUMED-NEST

Project ID: plumID:26.000
Name: OPES simulations of disordered proteins
Archive: https://github.com/KULL-Centre/_2026_streit_opes/raw/main/plumed_files/PLUMED.zip
Category: bio
Keywords: OPES, IDPs
PLUMED version: 2.10
Contributor: Julian Streit
Submitted on: 14 Jan 2026
Publication: unpublished

PLUMED input files

File	Compatible with
AAQAA3_274K/plumed_prod.dat
AAQAA3_274K/plumed_trial_restart.dat
AAQAA3_274K/plumed_trial_start.dat
AAQAA3_300K/plumed_prod.dat
AAQAA3_300K/plumed_trial_restart.dat
AAQAA3_300K/plumed_trial_start.dat
ACTR/plumed_prod.dat
ACTR/plumed_trial_restart.dat
ACTR/plumed_trial_start.dat
HTTex1_16Q/plumed_prod.dat
HTTex1_16Q/plumed_trial_restart.dat
HTTex1_16Q/plumed_trial_start.dat
fragmentACTR/plumed_prod.dat
fragmentACTR/plumed_trial_restart.dat
fragmentACTR/plumed_trial_start.dat

Last tested: 15 Jan 2026, 16:57:17

Project description and instructions
plumed_trial_start.dat activates an OPES bias for a new simulation. plumed_trial_restart.dat is used for restarting. plumed_prod.dat is used for production simulations with a static bias (e.g., STATE.production). Simulations were performed with GROMACS 2023.4 + PLUMED 2.10.

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

Submission history
[v1] 14 Jan 2026: original submission

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