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Release v1.0.0 - GPCRmd Simulation Pipeline

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@adriangarciarecio adriangarciarecio released this 17 Jan 10:42
· 10 commits to master since this release

This release introduces a comprehensive pipeline for the building, equilibration, simulation, and post-processing of GPCR systems, tailored for submission to GPCRmd. The pipeline is designed for Linux-based environments and includes a demo to streamline your first use.