hi,

I want to ask about calculate binding energy protocols. I've running MDS simulation with standard dynamic cascade for homodimeric protein with ligand. And I want to calculate binding energy deltaG of the homodimeric protein and ligand. From other publication it says that binding energy is about 0-20 kcal/mol. But what I get in calculate binding energy is about 80-120 kcal/mol. The value difference is to large. Am I doing anything wrong? I'm used Disco Stu 2.1

thanks and really need some solution here