We held the CMMDE workshop presenting three new features in ORCA 6, including the explicit solvation effects, molecular docking at quantum mechanical level, and finally, the global optimizer algorithm for finding the conformer ensemble and reaction pathways. The slide can be accessed at
https://cmsd.or.id/cmmde/slides/20240816.pdf
The examples are also available at catalysis.compscience.app server. The workshop participants can freely access the contents in the following directory path:
/home/cmmde/cmmde_workshop/August2024
See you again in another CMMDE workshop! 