Hi guys,
We can normally optimise one molecule at a time on Avogadro on windows. Is there a way we could optimise multiple molecules and put it on autopilot?
Or can this work on linux?
Ck
Hi guys,
We can normally optimise one molecule at a time on Avogadro on windows. Is there a way we could optimise multiple molecules and put it on autopilot?
Or can this work on linux?
Ck
For either platform, the default optimization is performed by Open Babel “under the hood.”
Open Babel supports batch minimization
Hope that helps!