Software and documentation projects

Software projects

Extensions and modifications of GROMACS

• Conditional Stop
• Force Distribution Analysis (FDA) (older versions)
• Sliced Pull
  • based on GROMACS version 2016.5: code, documentation
  • based on GROMACS version 2018.2: code, documentation

Standalone software packages

• CONAN: analysis of contacts in molecular dynamics trajectories

Documentation projects

• Guides: various guides about our tools

About the research group

The major interest of the Molecular Biomechanics group is to decipher how proteins have been designed to specifically respond to mechanical forces in the cellular environment or as a biomaterial. We use Molecular Dynamics simulations, Force Distribution Analysis, Finite Element Analysis, and other computational techniques to study protein dynamics and mechanics on different length and time scales. Read more.