Hello.

When I used the solvation free energy module to calculate the chiral drug in ionic liquid, I met an error.

That is "Dynamics calculation - Deviation in total energy (1.04619e+006 kcal/mol) between successive 
steps was greater than the specified maximum (100000 kcal/mol).
Try relaxing the structure with geometry optimization, reducing the time step, 
reducing the temperature or a combination of these."

I have tried to make geometry optimization again and reduce to tiome step to 0.1 fs, but still cannot solve this problem. Could anyne help me? Thanks a lot!