[gmx-users] Fw: energy minimization problem

[kiana moghaddam]

Dear Justin 

Further to your previous email, I want to calculate free energy for DNA-ligand interaction. According to your answer, for more sensitive calculations like free energy simulations and normal modes, emtol should be lower than 1. As I understand, you mean that for these systems emtol should be 0 or negative. Is it really true? 

Best Regards
Kiana