# \#colvars

**URL:** https://gromacs.bioexcel.eu/tag/colvars/56.md

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## [Colvars: Error: keyword "customfunction" is not supported](https://gromacs.bioexcel.eu/t/colvars-error-keyword-customfunction-is-not-supported/8925)

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**Author:** [@fmytreberg](https://gromacs.bioexcel.eu/u/fmytreberg)\
**Replies:** 3\
**Last updated:** [May 12, 2026, 3:10am UTC](https://gromacs.bioexcel.eu/t/colvars-error-keyword-customfunction-is-not-supported/8925 "2026-05-12T03:10:18Z")

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GROMACS version: 2024.1 GROMACS modification: Yes/No I’m new posting in the forum, but a long time GROMACS user. I have been working with the colvars module as implemented in GROMACS 2024.1 and am having problems with …

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## [Colvars' distancePairs to get minimum distance between molecules](https://gromacs.bioexcel.eu/t/colvars-distancepairs-to-get-minimum-distance-between-molecules/13069)

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**Author:** [@hhg7](https://gromacs.bioexcel.eu/u/hhg7)\
**Replies:** 1\
**Last updated:** [December 30, 2025, 6:47pm UTC](https://gromacs.bioexcel.eu/t/colvars-distancepairs-to-get-minimum-distance-between-molecules/13069 "2025-12-30T18:47:14Z")

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GROMACS version: 2025.3 GROMACS modification: No I am attempting to run a metadynamics simulation between two molecules with the following config file: indexFile cpx.ndx colvarsTrajFrequency 500 colvar { name r outp…

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## [CP2K2023.2/GROMACS2024.4 interface + Colvars behaviour](https://gromacs.bioexcel.eu/t/cp2k2023-2-gromacs2024-4-interface-colvars-behaviour/10819)

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**Author:** [@Matte\_o\_rlandi](https://gromacs.bioexcel.eu/u/Matte_o_rlandi)\
**Replies:** 0\
**Last updated:** [December 15, 2024, 3:30pm UTC](https://gromacs.bioexcel.eu/t/cp2k2023-2-gromacs2024-4-interface-colvars-behaviour/10819 "2024-12-15T15:30:12Z")

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GROMACS version: 2024.4 GROMACS modification: Yes/No CP2K 2023.2 interface Good evening, I have compiled with success the interface between GROMACS and CP2K and it works fine for standard QM/MM MD simulations (I verifi…

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## [Unbiasing metadynamics MD data ran with colvars module](https://gromacs.bioexcel.eu/t/unbiasing-metadynamics-md-data-ran-with-colvars-module/9409)

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**Author:** [@Sveakso](https://gromacs.bioexcel.eu/u/Sveakso)\
**Replies:** 3\
**Last updated:** [June 18, 2024, 4:26pm UTC](https://gromacs.bioexcel.eu/t/unbiasing-metadynamics-md-data-ran-with-colvars-module/9409 "2024-06-18T16:26:37Z")

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GROMACS version: 2024.1 GROMACS modification: No Hello, I’m attempting to apply well-tempered metadynamics to a small disordered peptide using the colvars module. When analysing the data, since the simualtions has bee…

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## [Standard library logic error when restarting colvars run](https://gromacs.bioexcel.eu/t/standard-library-logic-error-when-restarting-colvars-run/7747)

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**Author:** [@mattiafelicepalermo](https://gromacs.bioexcel.eu/u/mattiafelicepalermo)\
**Replies:** 5\
**Last updated:** [December 8, 2023, 2:02pm UTC](https://gromacs.bioexcel.eu/t/standard-library-logic-error-when-restarting-colvars-run/7747 "2023-12-08T14:02:27Z")

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GROMACS version: 2023.3 GROMACS modification: No Dear GROMACS forum, I’m running an MD simulation of ethane in argon gas, where I use the colvars module to explore energy profile of the H-C-C-H dihedral. This are the …

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## [Units with colvars module](https://gromacs.bioexcel.eu/t/units-with-colvars-module/5627)

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**Author:** [@sgugliel](https://gromacs.bioexcel.eu/u/sgugliel)\
**Replies:** 4\
**Last updated:** [July 24, 2023, 4:21pm UTC](https://gromacs.bioexcel.eu/t/units-with-colvars-module/5627 "2023-07-24T16:21:42Z")

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GROMACS version: 2021.6-Colvars-2022-12-16-dev GROMACS modification: No Hi all, a probably silly question to be sure I understood correctly the ref manual: when defining distance in colvar file, if I do not specify th…

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## [ABF error with colvars module](https://gromacs.bioexcel.eu/t/abf-error-with-colvars-module/6492)

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**Author:** [@RobertCoff](https://gromacs.bioexcel.eu/u/RobertCoff)\
**Replies:** 5\
**Last updated:** [May 26, 2023, 5:12pm UTC](https://gromacs.bioexcel.eu/t/abf-error-with-colvars-module/6492 "2023-05-26T17:12:21Z")

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GROMACS version:2022.5-Colvars\_2023\_05\_01 GROMACS modification: Yes I am attempting to use ABF in the colvars module for my simulation. I have tried installing several versions of Gromacs (gromacs2021.6-colvars, fresh …

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## [Colvar output force and work](https://gromacs.bioexcel.eu/t/colvar-output-force-and-work/3191)

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**Author:** [@galileo92](https://gromacs.bioexcel.eu/u/galileo92)\
**Replies:** 20\
**Last updated:** [May 8, 2023, 7:21pm UTC](https://gromacs.bioexcel.eu/t/colvar-output-force-and-work/3191 "2023-05-08T19:21:51Z")

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GROMACS version: 2020.6 GROMACS modification: Yes Dear, I am doing SMD using collar, and I want to obtain the force (in pN) and the accumulated work and know how the work is calculated (to quote the equation in my art…

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## [Build Error: Gromacs 2021.6 patched with Colvars](https://gromacs.bioexcel.eu/t/build-error-gromacs-2021-6-patched-with-colvars/6038)

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**Author:** [@konstantina](https://gromacs.bioexcel.eu/u/konstantina)\
**Replies:** 2\
**Last updated:** [March 26, 2023, 6:36pm UTC](https://gromacs.bioexcel.eu/t/build-error-gromacs-2021-6-patched-with-colvars/6038 "2023-03-26T18:36:54Z")

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GROMACS version: 2021.6 GROMACS modification: Yes I am currently trying to install the Gromacs version 2021.6 patched with Gromacs (found on the github page Release v2021.6-colvars · Colvars/gromacs · GitHub) on Ubuntu…

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## [Error compiling gromacs 2020.5 patched with Colvar module](https://gromacs.bioexcel.eu/t/error-compiling-gromacs-2020-5-patched-with-colvar-module/3048)

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**Author:** [@galileo92](https://gromacs.bioexcel.eu/u/galileo92)\
**Replies:** 24\
**Last updated:** [November 12, 2021, 6:31pm UTC](https://gromacs.bioexcel.eu/t/error-compiling-gromacs-2020-5-patched-with-colvar-module/3048 "2021-11-12T18:31:13Z")

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GROMACS version: 2020.5 GROMACS modification: Yes I’m try install gromacs using steps decription on official website on linux but get error, it error is related to Make\[2\] Error 1 or Make\[ \]error 2. Can any given good…
