How to calculate ONIOM QM/MM energy with Explicit solvent?

Hello, I am doing ONIOM QM/MM energy calculation. I am adding explicit solvent. My input keywords is below: # oniom(m06/6-31g(d,p):amber=hardfirst) scrf=(iefpcm,read,oniompcm=x) nosymm...

05 June 2024 5,777 1 View