The paper describing our community effort to collect and organize #plumed tutorials has been published in the Journal of Chemical Physics, as part of the Michele Parrinello Festschrift! doi.org/10.1063/5.02...
Posts by PLUMED
1 year ago
31
11
0
1
Our work presented at the 3D-BIOINFO-PT workshop 3d-bioinfo-pt.github.io/workshops/wo... and meeting 3d-bioinfo-pt.github.io/annual_meeti...! @tf-silva.bsky.social will give a @plumed.org tutorial on constant pH #metadynamics and show our latest results on #RNA oligomers (arxiv.org/abs/2410.16064)
1 year ago
7
2
0
0
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...
1 year ago
4
2
0
0