[gmx-users] Fw: energy minimization problem
kiana moghaddam
ki_moghaddam at yahoo.com
Mon Nov 4 09:29:59 CET 2013
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
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