Repositories list

• gromacs-fda

  Public
  Force Distribution Analysis (FDA) for GROMACS

  molecular-dynamicstrajectory-analysisgromacs

  C++

  •

  Other

  •12•30•7•0•Updated Jun 18, 2024Jun 18, 2024

• col_breaker

  Public
  Simulation code of a super coarse grained collagen model, that is breakable under force.

  Python

  •0•0•0•0•Updated Nov 10, 2023Nov 10, 2023

• HAT_prediction_GNN

  Public
  Graph NN models for predicting HAT energy barriers

  PureBasic

  •

  MIT License

  •0•1•0•0•Updated Feb 7, 2023Feb 7, 2023

• gromacs-developments

  Public
  A development version of GROMACS with extra feature branches by Molecular Biomechanics (MBM) group at HITS.

  molecular-dynamicsmolecular-simulationmolecular-dynamics-simulation+ 1gromacs

  C++

  •

  GNU Lesser General Public License v2.1

  •331•0•0•0•Updated Nov 8, 2021Nov 8, 2021

• gromacs-fda-vmd

  Public
  VMD plugins to visualize pairwise forces and atomic stress

  PostScript

  •2•1•0•0•Updated Feb 12, 2020Feb 12, 2020

• kimmdy

  Public
  reactive MD python pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)

  pythonmolecular-dynamicsgromacs+ 2reactive-molecular-dynamicsbond-scission

  Python

  •

  GNU General Public License v3.0

  •4•10•0•0•Updated Nov 19, 2019Nov 19, 2019

• conan

  Public
  Analysis of contacts in molecular dynamics trajectories

  pythonmolecular-dynamics

  Python

  •

  GNU General Public License v3.0

  •13•41•3•0•Updated Nov 4, 2019Nov 4, 2019

• redox-potential

  Public
  Redox potential of a protein disuflide bond

  Makefile

  •1•0•1•0•Updated May 13, 2019May 13, 2019

• isopeptide-bonds

  Public
  Isopeptide bonds forcefield files

  0•0•0•0•Updated May 13, 2019May 13, 2019

• hits-mbm.github.io

  Public
  HITS MBM GitHub page

  0•0•0•0•Updated Jul 4, 2018Jul 4, 2018

• gromacs-documentation

  Public
  Compiled GROMACS documentation

  HTML

  •0•0•0•0•Updated Jun 25, 2018Jun 25, 2018

• guides

  Public
  Various guides about our tools

  fdanamdgromacs

  0•0•0•0•Updated Dec 8, 2017Dec 8, 2017

• fda-archive

  Public
  Older Force Distribution Analysis for GROMACS versions

  GNU General Public License v2.0

  •0•0•0•0•Updated Apr 29, 2015Apr 29, 2015