#openmm

While I do not question the results of their work I question why it was published. The message of their work is that shear can unfold proteins. Ironically the colleague that I never met used one of these papers to "validate" a #OpenMM simulation. What was wrong?

GitHub - acnash/gamd-openmm at feature-periodic Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calculations of biomolecules. It works by adding a harmonic boost p...

Currently living here
github.com/acnash/gamd-...

#moleculardynamics #openmm #chemistry

Note that the OpenMW community is working on a ragdoll physics mod along with breakable items. I will definitely not install it, this would be my nightmare, but it’s still incredible stuff. All you can eat video game buffet, all for free.
#OpenMM #Morrowind #TamrielRebuilt