# Mdrun using charm36

**URL:** <https://gromacs.bioexcel.eu/t/mdrun-using-charm36/11916>\
**Category:** User discussions\
**Created:** [April 11, 2025, 6:03am UTC](https://gromacs.bioexcel.eu/t/mdrun-using-charm36/11916 "2025-04-11T06:03:40Z")\
**Posts on this page:** 2\
**Page:** 1

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**Author:** ![Deep](https://avatars.discourse-cdn.com/v4/letter/d/ce7236/32.png) [@Deep](https://gromacs.bioexcel.eu/u/Deep)\
**Post date:** [April 11, 2025, 6:03am UTC](https://gromacs.bioexcel.eu/t/mdrun-using-charm36/11916/1 "2025-04-11T06:03:40Z")

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GROMACS version:  
GROMACS modification: Yes/No  
Here post your question

I am trying to run protein ligand MD simulation using charm36 ff and got. What should I select. Please suggest.

Select start terminus type for GLY-44  
0: GLY-NH3+  
1: GLY-NH2  
2: HYD1  
3: MET1  
4: 5TER  
5: 5MET  
6: 5PHO  
7: 5POM  
8: None  
8  
Start terminus GLY-44: None  
Select end terminus type for HIS-315  
0: COO-  
1: COOH  
2: CT2  
3: CT1  
4: HYD2  
5: MET2  
6: 3TER  
7: None

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**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:** [April 11, 2025, 2:00pm UTC](https://gromacs.bioexcel.eu/t/mdrun-using-charm36/11916/2 "2025-04-11T14:00:32Z")

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This forum is for asking questions about usage of GROMACS, not for questions on chemistry.