# Query regarding non-bonded parameter combination

**URL:** <https://gromacs.bioexcel.eu/t/query-regarding-non-bonded-parameter-combination/249>\
**Category:** User discussions\
**Created:** [June 5, 2020, 3:09pm UTC](https://gromacs.bioexcel.eu/t/query-regarding-non-bonded-parameter-combination/249 "2020-06-05T15:09:51Z")\
**Posts on this page:** 1\
**Page:** 1

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**Author:** ![snehasis.chatterjee](https://avatars.discourse-cdn.com/v4/letter/s/90db22/32.png) [@snehasis.chatterjee](https://gromacs.bioexcel.eu/u/snehasis.chatterjee)\
**Post date:** [June 5, 2020, 3:09pm UTC](https://gromacs.bioexcel.eu/t/query-regarding-non-bonded-parameter-combination/249/1 "2020-06-05T15:09:51Z")

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Dear Gromacs users,

I am trying to perform a simulation for a protein-DNA system using GROMACS 2019. I would like to use both CHARMM22 and AMBER99SB-ILDN force fields for force field comparison.

non-bonded settings for AMBER99SB-ILDN:

coulombtype = pme  
rcoulomb = 1.0  
vdwtype = Cut-off  
rvdw = 1.0  
pme\_order = 4  
fourierspacing = 0.16

non-bonded settings for CHARMM22:

coulombtype = pme  
rcoulomb = 1.2  
vdwtype = Cut-off  
vdw-modifier = Force-switch  
rvdw\_switch = 1.0  
rvdw = 1.2  
pme\_order = 4  
fourierspacing = 0.16

During production run tpr file generation (using grompp), I saw the following messages:

**using CHARMM22 force field:**  
**Generated 97877 of the 97903 non-bonded parameter combinations**  
**Generating 1-4 interactions: fudge = 1**  
**Generated 64492 of the 97903 1-4 parameter combinations**

**using AMBER99SB-ILDN force field:**  
**Generated 2211 of the 2211 non-bonded parameter combinations**  
**Generating 1-4 interactions: fudge = 0.5**  
**Generated 2211 of the 2211 1-4 parameter combinations**

Significantly very few non-bonded parameter combinations were generated during grompp, using AMBER99SB-ILDN force field compared to CHARMM22. I am confused regarding this issue.

Any kind of advice/ suggestions will be deeply appreciated.

Thanks in advance,  
Snehasis Chatterjee
