# Checkpoint file during QM/MM simulation using GROMACS/CP2K **URL:** \ **Category:** QM/MM for Biomolecular Simulation\ **Created:** [October 17, 2022, 8:40am UTC](https://ask.bioexcel.eu/t/checkpoint-file-during-qm-mm-simulation-using-gromacs-cp2k/3947 "2022-10-17T08:40:37Z")\ **Posts on this page:** 3\ **Page:** 1
**Author:** ![Qinghua](https://avatars.discourse-cdn.com/v4/letter/q/8e7dd6/32.png) [@Qinghua](https://ask.bioexcel.eu/u/Qinghua)\ **Post date:** [October 17, 2022, 8:40am UTC](https://ask.bioexcel.eu/t/checkpoint-file-during-qm-mm-simulation-using-gromacs-cp2k/3947/1 "2022-10-17T08:40:37Z")
Hello, I am running QM/MM simulations with Gromacs v2022.3, CP2K v9.1 and PLUMED v2.8. For restart the simulation, I added “-cpt 2” in the command, which would write the checkpoint file every 2 minutes. But actually, as you can see from the attached figure, the last checkpoint file was generated one hour before the simulation finished (wall time). What would you recommend for correctly restarting a simulation? Thanks a lot! All the best, Qinghua ---
**Author:** ![dmorozov](https://avatars.discourse-cdn.com/v4/letter/d/dec6dc/32.png) [@dmorozov](https://ask.bioexcel.eu/u/dmorozov)\ **Post date:** [October 22, 2022, 7:07pm UTC](https://ask.bioexcel.eu/t/checkpoint-file-during-qm-mm-simulation-using-gromacs-cp2k/3947/2 "2022-10-22T19:07:45Z")
Hi, sorry for a late reply. It is not connected to the QMMM directly. Could you post that into the main GROMACS forum? > **[User discussions](https://gromacs.bioexcel.eu/c/gromacs-user-forum/5)** > > Discussion forum for installation and usage of GROMACS software (www.gromacs.org). Please make an account to ask or answer a question. Best, Dmitry ---
**Author:** ![Qinghua](https://avatars.discourse-cdn.com/v4/letter/q/8e7dd6/32.png) [@Qinghua](https://ask.bioexcel.eu/u/Qinghua)\ **Post date:** [October 24, 2022, 9:15am UTC](https://ask.bioexcel.eu/t/checkpoint-file-during-qm-mm-simulation-using-gromacs-cp2k/3947/3 "2022-10-24T09:15:28Z")
Thanks Dmitry! All the best, Qinghua