Hi all do I need to run energy minimization using other software if i want to run MD simulation using YASARA?

17 September 2024 1 10K Report

the complex obtained was from EasydockVina (AutoDock)

You can do an energy minimization of a ligand-protein complex in YASARA and then also carry out an MD simulation in YASARA. You will need the correct levels of YASARA, e.g., YASARA-Dynamics or YASARA-Structure.

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