Project ID: plumID:22.011
Name: Accelerating all-atom simulations and gaining mechanistic understanding of biophysical systems through State Predictive Information Bottleneck
Archive: https://github.com/tiwarylab/SPIB-biophysical-applications/raw/8125431bf0cf7cb2fb63f084ace617bed75fc54d/plumed%20inputs/plumed_nest.zip
Category: methods
Keywords: metadynamics, membrane permeation, protein folding
PLUMED version: 2.6.2
Contributor: Shams Mehdi
Submitted on: 11 Mar 2022
Publication: S. Mehdi, D. Wang, S. Pant, P. Tiwary. Accelerating all-atom simulations and gaining mechanistic understanding of biophysical systems through State Predictive Information Bottleneck.

PLUMED input files

File Compatible with
BA-DMPC.dat tested on v2.8 tested on master
Aib9_structural_round_1.dat tested on v2.8 tested on master
Aib9_structural_round_2.dat tested on v2.8 tested on master
Aib9_temporal.dat tested on v2.8 tested on master

Last tested: 22 Jun 2022, 17:13:32

Project description and instructions
The input files can be used to perform well-tempered metadynamics using GROMACS 2020.2.

Submission history
[v1] 11 Mar 2022: original submission

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plumeDnest:22.011