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pablo-arantes / making-it-rain

Cloud-based molecular simulations for everyone
MIT License
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NAMD #85

Closed Eliel83 closed 10 months ago

Eliel83 commented 10 months ago

Hello... is it posible create a COLAB for NAMD? It will be very useful

pablo-arantes commented 10 months ago

Hi @Eliel83,

As we said in the paper, the idea of Making it Rain is "highlight the usage of a cloud-computing". Our notebooks are using OpenMM engine to run the molecular dynamics simulations. One suggestion is installing NAMD on Google Colab and run your simulations there. Follow a notebook where they have shown how to install and run NAMD on Colab: https://colab.research.google.com/drive/1KEd7TR37UUaculowjNe02ja_JlWlw0Jd?usp=sharing

I hope it helps.

Thank you.

Best,

Pablo