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---
layout: post
title: "openfe v1.11: Introducing support for membrane systems"
categories: science update
---

We are pleased to announce the release of **openfe** version 1.11!

This release brings along some long-awaited features, notably support for membranes!

Please see below for some highlights and see the [Changelog][] for more details.

## New Features

### Support for Protein-Membrane Systems

**openfe** can now perform simulations of proteins in membranes. These simulations require additional preparation: the user must supply a fully built, solvated, pre-equilibrated system, prepared with an external package. On the CLI, use the option `--protein-membrane` instead of `--protein` if you are providing this type of system, and see the new [tutorial][] on RBFE Calculations of Protein-Membrane Sytems for guidance. You can find additional information in the [User Guide][].

### Updated Default Settings for Improved Accuracy

By default, we now Lambda scale 1-4 interactions between core and dummy (i.e. unique in either end state) atoms in our [hybrid topology protocol][]. In the past, such 1-4 interactions would be kept across the transformation. Our internal research shows that this modification yields a small, yet significant, improvement in the accuracy of relative binding free energy simulations.

Should you wish to toggle this feature, it can be controlled using the [HybridTopologyProtocol alchemical settings][] `turn_off_core_unique_exceptions` parameter.

## Installing `openfe v1.11`

`openfe` is made available as a [conda-forge][] package, or [docker and singularity images][].

Please see our [installation instructions][] for details on how to install `openfe`.

[changelog]: https://docs.openfree.energy/en/latest/CHANGELOG.html
[tutorial]: https://docs.openfree.energy/en/latest/tutorials/rbfe_membrane_protein.html
[User Guide]: https://docs.openfree.energy/en/latest/guide/setup/chemical_systems_and_thermodynamic_cycles.html
[hybrid topology protocol]: https://docs.openfree.energy/en/latest/guide/protocols/relativehybridtopology.html
[docker and singularity images]: https://github.com/OpenFreeEnergy/openfe/pkgs/container/openfe
[conda-forge]: https://anaconda.org/conda-forge/openfe
[installation instructions]: https://docs.openfree.energy/en/latest/installation.html
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[HybridTopologyProtocol alchemical settings]: https://docs.openfree.energy/en/latest/reference/api/openmm_rfe.html#protocol-settings
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