# Comparison monomer simulations

**URL:** <https://gromacs.bioexcel.eu/t/comparison-monomer-simulations/9285>\
**Category:** User discussions\
**Created:** [June 3, 2024, 11:38am UTC](https://gromacs.bioexcel.eu/t/comparison-monomer-simulations/9285 "2024-06-03T11:38:23Z")\
**Posts on this page:** 1\
**Page:** 1

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**Author:** ![WoutVE](https://avatars.discourse-cdn.com/v4/letter/w/cdc98d/32.png) [@WoutVE](https://gromacs.bioexcel.eu/u/WoutVE)\
**Post date:** [June 3, 2024, 11:38am UTC](https://gromacs.bioexcel.eu/t/comparison-monomer-simulations/9285/1 "2024-06-03T11:38:23Z")

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GROMACS version: 2023.1  
GROMACS modification: No

I have been simulating multiple single point mutations of a wild target. RMSF visualization at the sites has been a method to roughly describe if a simulation is stable, however I would like to have quantitative results.

I have been using the gmx energy function to calculate the relative differences in potential and total energy, but I feel like this is not really the correct way to do it.

Can anybody confirm this and/or give suggestions to properly do it? Or should I use a different energy metric?

Warm regards,  
Wout
