search

cole-group / FEgrow

An Open-Source Molecular Builder and Free Energy Preparation Workflow
https://cole-group.github.io/FEgrow/
MIT License
115 stars 19 forks source link

A growing vector splits the molecule into several components #47

Closed bieniekmateusz closed 1 year ago

bieniekmateusz commented 1 year ago

Select the largest one or the user provided.