[WIP] Workflow for ONA - Githubissues

mosdef-hub / mosdef-workflows

Sample molecular simulation workflows using a MoSDeF and community tools

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[WIP] Workflow for ONA #28

Open zijiewu3 opened 4 years ago

zijiewu3 commented 4 years ago

A work in progress for the workflow of mbuild_ONA model. Currently we don't have the part where we actually carry out the simulation in lammps and validate the simulation results. Since the scale on which we run our simulation is not achievable at all in a jupyter notebook, I will talk to Phillip (who actually runs the ONA project in our lab) for what a good way to validate the simulation will be.

review-notebook-app[bot] commented 3 years ago

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