With ORCA 6 (FACCTs & MPI Kofo), openCOSMO-RS became part of its versatile solvation toolkit. Check out the new paper on its most recent parameterization (https://doi.org/10.1016/j.fluid.2024.114250) and try it yourself with our tutorial.
https://www.faccts.de/docs/orca/6.0/tutorials/prop/cpcm.html#opencosmo-rs
Inspired by @octobyte setup, I tidied up my home working desk and felt twice as motivated to continue on finishing my report for a practical course than before.
Nonetheless I procrastinate by writing this toot 🤷♂️
#studentthings #arch #linux #LaTeX #texteditor #theoretical #chemistry #classical #moleculardynamics #solvation of #proteins
FACCTs
Patrik 🇪🇺