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.