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Posts by PLUMED

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PLUMED Tutorials: A collaborative, community-driven learning ecosystem In computational physics, chemistry, and biology, the implementation of new techniques in shared and open-source software lowers barriers to entry and promotes

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...

1 year ago 31 11 0 1
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Intermediate Workshop: December 19th 2024 at ULisboa

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