GROMACS version: 2018
GROMACS modification: No
I need help checking my electrolyte system’s Forcefield (OPLS-AA). The simulation results don’t match expected values:
EC = Lower coordination number, solvation shell at a slightly different distance. (Green line)
RDF =Deviates from literature.
The simulation box looks stable after the run (no broken bonds).
My electrolyte system is EC:DEC:DMC
How can I pinpoint the problem in the Forcefield?
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