# Force field for MoS2

**URL:** <https://gromacs.bioexcel.eu/t/force-field-for-mos2/12241>\
**Category:** User discussions\
**Created:** [June 15, 2025, 7:23pm UTC](https://gromacs.bioexcel.eu/t/force-field-for-mos2/12241 "2025-06-15T19:23:15Z")\
**Posts on this page:** 3\
**Page:** 1

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**Author:** ![gluizcar](https://avatars.discourse-cdn.com/v4/letter/g/aeb1de/32.png) [@gluizcar](https://gromacs.bioexcel.eu/u/gluizcar)\
**Post date:** [June 15, 2025, 7:23pm UTC](https://gromacs.bioexcel.eu/t/force-field-for-mos2/12241/1 "2025-06-15T19:23:15Z")

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GROMACS version: 2022  
GROMACS modification: No  
I’m trying to generate a topology of a TMD, specifically a MoS2 and a MoSe2. Is there any method to generate the .itp file? I’ll use GROMACS to do my simulations. Acpype doesn’t work with these materials.

Thanks for any suggestions.

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**Author:** ![rpsingh](https://avatars.discourse-cdn.com/v4/letter/r/c57346/32.png) [@rpsingh](https://gromacs.bioexcel.eu/u/rpsingh)\
**Post date:** [June 20, 2025, 5:53pm UTC](https://gromacs.bioexcel.eu/t/force-field-for-mos2/12241/2 "2025-06-20T17:53:48Z")

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MoS2 can be generated using Nanomaterial Modeler in CHARMM-GUI.

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**Author:** ![gluizcar](https://avatars.discourse-cdn.com/v4/letter/g/aeb1de/32.png) [@gluizcar](https://gromacs.bioexcel.eu/u/gluizcar)\
**Post date:** [September 17, 2025, 4:10pm UTC](https://gromacs.bioexcel.eu/t/force-field-for-mos2/12241/3 "2025-09-17T16:10:41Z")

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I tried to do it via CHARMM-GUI and I actually managed to do it, but now I’m trying to make a system with poro. But I’m not getting it.