This repository provides scripts for running NPT MD simulations using OpenMM, specifically designed for use on the PHX cluster.
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Updated
Jun 28, 2024 - Python
Molecular dynamics allows the atoms and molecules to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system.
This repository provides scripts for running NPT MD simulations using OpenMM, specifically designed for use on the PHX cluster.
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