PLUMED
@plumed.org
#PLUMED is a plugin for enhanced sampling and analysis of #moleculardynamics simulations | plumed.org
Reposted by PLUMED
We used @gromacs.bsky.social + @plumed.org and a custom replica exchange method developed by Olivier. More details in our presentation (www.predictioncenter.org/casp16/doc/p...) and abstract (www.predictioncenter.org/casp16/doc/C...). PLUMED tutorial at www.plumed-tutorials.org/lessons/24/0...
www.predictioncenter.org
December 18, 2024 at 9:50 AM
We used @gromacs.bsky.social + @plumed.org and a custom replica exchange method developed by Olivier. More details in our presentation (www.predictioncenter.org/casp16/doc/p...) and abstract (www.predictioncenter.org/casp16/doc/C...). PLUMED tutorial at www.plumed-tutorials.org/lessons/24/0...