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PLUMED
@plumed.org
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#PLUMED is a plugin for enhanced sampling and analysis of #moleculardynamics simulations | plumed.org
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plumed.org
PLUMED @plumed.org · Mar 4
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...
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
doi.org
11 31
plumed.org
PLUMED @plumed.org · Mar 4
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...
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
doi.org
11 31
Reposted by PLUMED
bussilab.org
Bussi Lab @bussilab.org · Dec 19
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)
Intermediate Workshop: December 19th 2024 at ULisboa
3d-bioinfo-pt.github.io
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Reposted by PLUMED
bussilab.org
Bussi Lab @bussilab.org · Dec 18
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
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