#compchem article by Yogesh Todarwal, "MD Study of the Binding of Cationic, Anionic, and Neutral Luminescent Conjugated Ligands to the Alzheimer Folds of Aβ(1–42) and Tau Fibrils" in ChemBioChem ( doi.org/10.1002/cbic...). Simulations with @gromacs.bsky.social and analysis with @viamd.bsky.social.

VIAMD now supports reading DCD trajectory files. You can load and analyze trajectories directly within VIAMD as with other formats by first dropping a pdb file followed by a dcd trajectory. Give it a try and let me know what you think! github.com/scanberg/via... #VIAMD #MolecularDynamics #Compchem

You can now define some default coloring per element in VIAMD. On top of it, you can choose a specific atom-type coloring. Also works for @veloxchem.bsky.social files. #compchem

#compchem colleagues, Want to learn about @veloxchem.bsky.social and @viamd.bsky.social? Join us at The eChem workshop "Quantum Chemistry with Jupyter Notebooks", will take place in Marseille (France) from May 18th to May 22nd, 2026. Information & registration: echemarseille26.sciencesconf.org

Have a jiggly weekend! #compchem

#compchem You can use viamd to read and analyze @veloxchem.bsky.social output file. You can read more about it following this link: github.com/scanberg/via...

You can now save Ultra HD (8k) resolution screenshot in VIAMD, with or without the GUI. Here illustrated on a visualization of a Moebius ring calculated with @veloxchem.bsky.social. #compchem

Road trip to #watoc! See you there. #compchem

See you there. I'll be at the @veloxchem.bsky.social booth. Presenting our QM software as well as @viamd.bsky.social. #WATOC #compchem

Registration deadline June 15 approaching ....

Get inside a bacterial cell with this cool combination of @cg-martini.bsky.social and @viamd.bsky.social Also check out our recent webinars on each: 🎬 Whole cell simulation with Martini ▶️ youtu.be/fvFaPgSoM90 🎬 Visual analysis of #moleculardynamics with VIAMD ▶️ youtu.be/wVENzcx0XmQ

MA(R/S)TINI 3: An Enhanced Coarse-Grained Force Field for Accurate Modeling of Cyclic Peptide Self-Assembly and Membrane Interactions | Journal of Chemical Theory and Computation pubs.acs.org/doi/full/10....

Interactive visualization of @cg-martini.bsky.social bacterial cell with @viamd.bsky.social. #compchem @gromacs.bsky.social

In addition to our website veloxchem.org, we are now opening the discussion on github, this is the place to exchange and ask questions about veloxchem (github.com/orgs/VeloxCh...). #compchem

Want to know more about Veloxchem and @viamd.bsky.social. Join us for a hands-on workshop and learn how to unlock the power of @lumi-supercomputer.eu for quantum chemistry using VeloxChem! Date and Place: May 26–27, 2025, CSC. Info and registration: csc.fi/en/training-... #compchem

🔬 Into quantum chemistry + HPC? Join the VeloxChem on LUMI Workshop — 26–27 May 2025 in Espoo, Finland! 💡 Learn to: Run VeloxChem via Jupyter Scale jobs on LUMI's GPUs with Slurm Analyze results with VIAMD Info + signup 👉 lumi-supercomputer.eu/events/velox... lumi-supercomputer.eu/events/velox...

New feature! You can now visualize trajectories with bond formation and breaking by checking the Recalc Bonds option. #compchem

Hi #compchem people, there is a playlist of tutorial videos for VIAMD available here: www.youtube.com/playlist?lis.... The first one is just a quick overview of the software: youtu.be/7X4pMv1Hf-4?.... Following videos in the thread will describe specific features of VIAMD🧵

Hi #compchem people of Bluesky. Follow us for updates on our latest developments.