# Warning druing energy minimization **URL:** \ **Category:** User discussions\ **Created:** [August 16, 2022, 11:19am UTC](https://gromacs.bioexcel.eu/t/warning-druing-energy-minimization/4625 "2022-08-16T11:19:12Z")\ **Posts on this page:** 3\ **Page:** 1
**Author:** ![NMDr](https://avatars.discourse-cdn.com/v4/letter/n/dec6dc/32.png) [@NMDr](https://gromacs.bioexcel.eu/u/NMDr)\ **Post date:** [August 16, 2022, 11:19am UTC](https://gromacs.bioexcel.eu/t/warning-druing-energy-minimization/4625/1 "2022-08-16T11:19:12Z")
GROMACS version: GROMACS modification: Yes/No Here post your question WARNING 1 [file topol.top, line 11462]: The GROMOS force fields have been parametrized with a physically incorrect multiple-time-stepping scheme for a twin-range cut-off. When used with a single-range cut-off (or a correct Trotter multiple-time-stepping scheme), physical properties, such as the density, might differ from the intended values. Check if molecules in your system are affected by such issues before proceeding. Further information may be available at [https://redmine.gromacs.org/issues/2884](https://redmine.gromacs.org/issues/2884). Removing all charge groups because cutoff-scheme=Verlet Analysing residue names: There are: 172 Protein residues There are: 1 Other residues There are: 10747 Water residues There are: 5 Ion residues Analysing Protein… Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups… Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups… Number of degrees of freedom in T-Coupling group rest is 70032.00 Calculating fourier grid dimensions for X Y Z Using a fourier grid of 60x60x60, spacing 0.118 0.118 0.118 Estimate for the relative computational load of the PME mesh part: 0.17 This run will generate roughly 3 Mb of data How to fix this problem ---
**Author:** ![al42and](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/al42and/32/1393_2.png) [@al42and](https://gromacs.bioexcel.eu/u/al42and)\ **Post date:** [August 18, 2022, 1:22pm UTC](https://gromacs.bioexcel.eu/t/warning-druing-energy-minimization/4625/2 "2022-08-18T13:22:22Z")
Hi! The link in the warning is outdated (which version of GROMACS are you using), here is the working link: [GROMACS can not reproduce properties with the GROMOS force fields - Redmine #2884 (#2884) · Issues · GROMACS / GROMACS · GitLab](https://gitlab.com/gromacs/gromacs/-/issues/2884). And here is the paper discussing the issues with GROMOS forcefield in more details: [On The Importance of Accurate Algorithms for Reliable Molecular Dynamics Simulations | Theoretical and Computational Chemistry | ChemRxiv | Cambridge Open Engage](https://doi.org/10.26434/chemrxiv.11474583.v1) ---
**Author:** ![NMDr](https://avatars.discourse-cdn.com/v4/letter/n/dec6dc/32.png) [@NMDr](https://gromacs.bioexcel.eu/u/NMDr)\ **Post date:** [August 19, 2022, 5:09am UTC](https://gromacs.bioexcel.eu/t/warning-druing-energy-minimization/4625/3 "2022-08-19T05:09:41Z")
Thank you