How to Run a Geometry Optimization in Orca 5.0 - Start to Finish Workflow

Описание к видео How to Run a Geometry Optimization in Orca 5.0 - Start to Finish Workflow

I show how to create an input structure for a solvated molecule in Chemcraft, then how to include that structure in an Orca input file. I also show the BASH scripts I use, and then submit the calculation in a cluster.
The details of the methods can be found in many of my previous videos. The purpose was to show the complete workflow.

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