Hi
I want to do the solvation free energy calculation with Forcite, but I failed. Then I tried run the three contributions seperately, I got the results for van der Waals and Electrostatic. But for Ideal, I got the following error:
Geometry optimization finished with an error condition.
I've already equilibriated the input structure with 2ns NVT. Does anyone have some suggestion about that? Thank you.
Regards,
Jingjing