# State of native PLUMED interface in GROMACS **URL:** \ **Category:** User discussions\ **Tags:** plumed\ **Created:** [December 8, 2025, 4:48pm UTC](https://gromacs.bioexcel.eu/t/state-of-native-plumed-interface-in-gromacs/13024 "2025-12-08T16:48:49Z")\ **Posts on this page:** 6\ **Page:** 1
**Author:** ![ostueker](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/ostueker/32/4918_2.png) [@ostueker](https://gromacs.bioexcel.eu/u/ostueker)\ **Post date:** [December 8, 2025, 4:48pm UTC](https://gromacs.bioexcel.eu/t/state-of-native-plumed-interface-in-gromacs/13024/1 "2025-12-08T16:48:49Z")
I have some questions about the current state (and future development) of the [native PLUMED interface](https://manual.gromacs.org/current/reference-manual/special/plumed.html) that as been added in [GROMACS 2025](https://manual.gromacs.org/current/release-notes/2025/major/features.html#a-feature-limited-version-of-the-plumed-interface-is-available). The GROMACS 2025 release notes state that: > _A basic version of the [PLUMED](https://www.plumed.org/) interface is now bundled by default in GROMACS._ and the [PLUMED 2.10 documentation](https://www.plumed.org/doc-v2.10/user-doc/html/gromacs-2025-0.html) also simply says: > _A basic PLUMED interface is already present in GROMACS._ However I didn’t find any list of features that are (or are not) supported by the GROMACS’ native PLUMED interface as opposed to applying the PLUMED patches. My interest in this question is mainly as a software installer for Canada’s academic HPC infrastructure. In other words: 1. Can I expect that with GROMACS 2025 (or 2026) most use-cases for GROMACS/PLUMED are already possible using the native interface and applying PLUMED patches to GROMACS is only needed for new features that have been added in the latest\*\* PLUMED release. 2. If the above is not is not yet the case, when do you expect that the native PLUMED integration will serve the needs for all (or most) use-cases (except for the most bleeding-edge features that surely will require the latest patches). 3. Is there any documentation for what is not supported by the native PLUMED integration and therefore still requires applying the patches? \*\* i.e. The PLUMED release that was published after the latest major GROMACS transitioned into the stabilization phase of the development cycle. Oliver **EDIT:** Related links: - discussion [Possible inclusion of PLUMED interface](https://gromacs.bioexcel.eu/t/possible-inclusion-of-plumed-interface/7678) here in the forum - GitLab issue [#4939 - Investigate needs for an interface to PLUMED](https://gitlab.com/gromacs/gromacs/-/issues/4939) - GitLab issue [#4940 - Needs for natively supporting Hamiltonian replica exchange functionality of PLUMED](https://gitlab.com/gromacs/gromacs/-/issues/4940) ---
**Author:** ![ostueker](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/ostueker/32/4918_2.png) [@ostueker](https://gromacs.bioexcel.eu/u/ostueker)\ **Post date:** [December 8, 2025, 7:01pm UTC](https://gromacs.bioexcel.eu/t/state-of-native-plumed-interface-in-gromacs/13024/2 "2025-12-08T19:01:17Z")
I’ve just added some related links to the top post. And since the prior discussion was between @giovanni.bussi and @hess, I’m tagging them here because they are probably the best people to respond to my questions. ---
**Author:** ![lmullender](https://avatars.discourse-cdn.com/v4/letter/l/8dc957/32.png) [@lmullender](https://gromacs.bioexcel.eu/u/lmullender)\ **Post date:** [December 9, 2025, 1:15pm UTC](https://gromacs.bioexcel.eu/t/state-of-native-plumed-interface-in-gromacs/13024/3 "2025-12-09T13:15:03Z")
According to the [reference manual](https://manual.gromacs.org/current/reference-manual/special/plumed.html#limitations) and the PLUMED website, the current limitations of the interface are that it’s not able to use the ENERGY cv, incompatibility with thread-MPI, and some replica exchange methods are missing. I think that it should still cover most common use cases though. ---
**Author:** ![ostueker](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/ostueker/32/4918_2.png) [@ostueker](https://gromacs.bioexcel.eu/u/ostueker)\ **Post date:** [December 10, 2025, 2:57pm UTC](https://gromacs.bioexcel.eu/t/state-of-native-plumed-interface-in-gromacs/13024/4 "2025-12-10T14:57:39Z")
Thanks. The incompatibility with thread-MPI is also mentioned in PLUMED’s [Code specific notes](https://www.plumed.org/doc-v2.10/user-doc/html/_code_specific_notes.html) for various existing patch-sets, e.g. [PLUMED v2.10’s patches for gromacs-2025-0](https://www.plumed.org/doc-v2.10/user-doc/html/gromacs-2025-0.html). In the [Change Log for PLUMED 2.10](https://www.plumed.org/doc-v2.10/user-doc/html/_c_h_a_n_g_e_s-2-10.html) I also found the note: > - New patches for MD codes: This suggests that all PLUMED patches for GROMACS 2025 and newer are based in the native GROMACS interface using GROMACS’ _MDModule_ interface. This [thread](https://groups.google.com/g/plumed-users/c/CFqS3QAc6SE/m/peilrwBDEgAJ) on the PLUMED users list also suggests that certain methods are only available with older GROMACS releases. So overall I get the impression that PLUMED patches for GROMACS 2025 and newer will be only marginally useful, since they would only include items that haven’t made it into the annual GROMACS release yet, but are likely to be included in next year’s release. Oliver ---
**Author:** ![hess](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/hess/32/416_2.png) [@hess](https://gromacs.bioexcel.eu/u/hess)\ **Post date:** [December 10, 2025, 3:22pm UTC](https://gromacs.bioexcel.eu/t/state-of-native-plumed-interface-in-gromacs/13024/5 "2025-12-10T15:22:31Z")
I don’t know the exact policy, but the GROMACS releases only contain the interface. PLUMED can update and add any features that are compatible with the current interface in PLUMED packages. ---
**Author:** ![ostueker](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/ostueker/32/4918_2.png) [@ostueker](https://gromacs.bioexcel.eu/u/ostueker)\ **Post date:** [December 10, 2025, 3:39pm UTC](https://gromacs.bioexcel.eu/t/state-of-native-plumed-interface-in-gromacs/13024/6 "2025-12-10T15:39:31Z")
Thanks. It appears that [MR 4622: Use multisim communicator in Plumed](https://gitlab.com/gromacs/gromacs/-/merge_requests/4622) hadn’t been merged in time for GROMACS 2025 (and is still open even though 2026 is nearing its RC phase). I can’t say for sure whether PLUMED’s patch for gromacs-2025.0 (“A patch for GROMACS 2025 has been added, _[_…] _and adds support for multiple walkers_.“) is identical to MR4622, but they seem to be somewhat related. Also [it appears](https://groups.google.com/g/plumed-users/c/CFqS3QAc6SE/m/lFppfzBDEgAJ) that “H-REMD (REST2 method)” used to be available in combination with older GROMACS releases, but that the MDModule interface is still missing some parts to that they could work with more recent versions of GROMACS, since [Issue #4940](https://gitlab.com/gromacs/gromacs/-/issues/4940) is still open.