How can I run Desmond simulation software on my institute's HPC?

Manish Kumar Mishra @Manish-Kumar-Mishra

01 May 2024 0 7K Report

I have Desmond running on my local pc but would like to use the resources of HPC facility. How do I install it on HPC and how to then link it to my pc for using HPC CPU and GPU for speedier simulations?

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