Hi,

I need to calculate binding energy of a complex (drug-protein) with standard deviation using MM-GBSA or MM-PBSA.

I have already my complex

Starting from my complex, I used the following protocol:

1) Step 1. I applied a molecular dynamic simulation using Standard Dynamics Cascade

2) Step 2. I analyzed molecular dynamics trajectory using the command Simulation | Analyze Trajectory

3) Step 3. Then, I used the protocol here: https://r1132100503382-eu1-3dswym.3dexperience.3ds.com/#community:ZS-F_AJlTfyGBneMANRkKQ/media:ssBFnMMrQkys9iZRbYnZNQ

So, I obtained the energy of binding but without standard deviations. the procedure that I have applied is it correct? how can I obtain the standard deviations of energy?

Thank you