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Membrane support: Protocol updates #1502

@hannahbaumann

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@hannahbaumann

Adapt the protocols to allow for a membrane-specific barostat

  • The protocols currently only support the MonteCarloBarostat which is not suitable for membranes

  • Add support for a MonteCarloMembraneBarostat

  • Changes to the alchemical factories that currently require the MonteCarloBarostat

  • Investigate whether separating the barostat settings from the IntegratorSettings into its own BarostatSettings class would lead to a better user experience

  • Error handling / warnings if a membrane-specific barostat is used for none membrane systems and vice versa

Protocol updates to use the explicit solvent component

  • Ability to recognize the presence of lipids

  • Adapt protocols, e.g. some methods currently expect a SolventComponent

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