# Charmm36 and lj-pme setting

**URL:** <https://gromacs.bioexcel.eu/t/charmm36-and-lj-pme-setting/13499>\
**Category:** User discussions\
**Created:** [June 5, 2026, 6:26pm UTC](https://gromacs.bioexcel.eu/t/charmm36-and-lj-pme-setting/13499 "2026-06-05T18:26:52Z")\
**Posts on this page:** 3\
**Page:** 1

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**Author:** ![slovas](https://avatars.discourse-cdn.com/v4/letter/s/e274bd/32.png) [@slovas](https://gromacs.bioexcel.eu/u/slovas)\
**Post date:** [June 5, 2026, 6:26pm UTC](https://gromacs.bioexcel.eu/t/charmm36-and-lj-pme-setting/13499/1 "2026-06-05T18:26:52Z")

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GROMACS version:2025  
GROMACS modification: No

Using chamm36 and LJ-PME is this a good setting?

```auto
cutoff-scheme = Verlet
coulombtype = PME
vdwtype = PME
vdw-modifier = Potential-shift-verlet
DispCorr = No
rvdw = 0.9
rcoulomb = 0.9
fourierspacing = 0.12

```

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<div class="post-metadata">

**Author:** ![slovas](https://avatars.discourse-cdn.com/v4/letter/s/e274bd/32.png) [@slovas](https://gromacs.bioexcel.eu/u/slovas)\
**Post date:** [June 10, 2026, 1:28pm UTC](https://gromacs.bioexcel.eu/t/charmm36-and-lj-pme-setting/13499/2 "2026-06-10T13:28:29Z")

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I wonder if anyone has used these setting?

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<div class="post-metadata">

**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:** [June 12, 2026, 8:37am UTC](https://gromacs.bioexcel.eu/t/charmm36-and-lj-pme-setting/13499/3 "2026-06-12T08:37:52Z")

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I expect a bit longer cut-offs to be a bit faster. I would suggest:

```auto
rvdw = 1.0
rcoulomb = 1.0
fourierspacing = 0.125

```

Note that I don’t know if CHARMM36 is compatible with LJ-PME for all systems.