# MD simulation is acetonitrile as solvent

**URL:** https://gromacs.bioexcel.eu/t/md-simulation-is-acetonitrile-as-solvent/7528
**Category:** User discussions
**Tags:** forcefield
**Created:** [November 1, 2023, 2:36pm UTC](https://gromacs.bioexcel.eu/t/md-simulation-is-acetonitrile-as-solvent/7528 "2023-11-01T14:36:55Z")
**Posts on this page:** 1
**Page:** 1

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### Author: ![Ali\_Jafari](https://avatars.discourse-cdn.com/v4/letter/a/ee59a6/32.png) [@Ali\_Jafari](https://gromacs.bioexcel.eu/u/Ali_Jafari)
#### Post date: [November 1, 2023, 2:36pm UTC](https://gromacs.bioexcel.eu/t/md-simulation-is-acetonitrile-as-solvent/7528/1 "2023-11-01T14:36:55Z")

</div>

GROMACS version: 2020.7  
GROMACS modification: No

I have recently performed a MD simulation in acetonitrile as solvent (apparently with no problems) but there is one thing that makes me somehow confused which is related to the reliability of the outcome; first, I performed molecular docking to make my protein with an organic molecule as ligand using Glide in Schrödinger suite ( OPLS3 force field) and then performed MD simulations in GROMACS ( CHARMM36-jul2022.ff) after mimization and equilibriating the whole system. All being said my question is " Are my results reliable?"  
I appretiate any help in advance.