# Gas Phase Minimization

**URL:** <https://gromacs.bioexcel.eu/t/gas-phase-minimization/10253>\
**Category:** User discussions\
**Tags:** mdrun, simulation-setup\
**Created:** [September 29, 2024, 6:37am UTC](https://gromacs.bioexcel.eu/t/gas-phase-minimization/10253 "2024-09-29T06:37:00Z")\
**Posts on this page:** 2\
**Page:** 1

<div class="post-metadata">

**Author:** ![oSalad](https://avatars.discourse-cdn.com/v4/letter/o/898d66/32.png) [@oSalad](https://gromacs.bioexcel.eu/u/oSalad)\
**Post date:** [September 29, 2024, 6:37am UTC](https://gromacs.bioexcel.eu/t/gas-phase-minimization/10253/1 "2024-09-29T06:37:00Z")

</div>

GROMACS version: 2023  
GROMACS modification: No

How do I perform energy minimization on a molecule in the gas phase with no PBC? Does anyone have a .mdp file that doesn’t use the group cutoff scheme as it appears to be disabled post-2019?

---

<div class="post-metadata">

**Author:** ![MagnusL](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/magnusl/32/2380_2.png) [@MagnusL](https://gromacs.bioexcel.eu/u/MagnusL)\
**Post date:** [October 1, 2024, 3:30pm UTC](https://gromacs.bioexcel.eu/t/gas-phase-minimization/10253/2 "2024-10-01T15:30:30Z")

</div>

See this post for suggestions [Gas or Vacuum phase - #2 by jalemkul](https://gromacs.bioexcel.eu/t/gas-or-vacuum-phase/4387/2).