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pablo-arantes / making-it-rain

Cloud-based molecular simulations for everyone
MIT License
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Prof. Dr. Salahalmula #89

Closed Salahalmulla closed 9 months ago

Salahalmulla commented 9 months ago

When I runs an Equilibration MD simulation (NPT ensemble) The following problem appeared to me TypeError: Unit "kilojoule/mole" is not compatible with Unit "kilojoule/(nanometer*mole)". Best regards

Salahalmulla commented 9 months ago

How Can I solve the problem

pablo-arantes commented 9 months ago

Can you please tell me in which notebook you are having the issue? This error should not happen because I've fixed all the notebooks.

Salahalmulla commented 9 months ago

Thank you very much for fast response The notebook is a Jupyter notebook for running Molecular Dynamics (MD) simulations using OpenMM engine and AMBER force field for Protein and Ligand systems Best regards

pablo-arantes commented 9 months ago

Hi @Salahalmulla,

I just tried here, and the notebook works well. Can you please reopen the notebook from the Making it Rain repo? Maybe you are using an old version.

Thank you.

Best,

Salahalmulla commented 9 months ago

Ok Best regards