[gmx-users] Protein-ligand interaction calculation

michael zhenin mikelj25 at gmail.com
Fri Sep 11 15:46:28 CEST 2015


I have simulated (REMD simulation) a protein complexed with a ligand and
wanted to know if there is any option for calculating the non bonded
energies between the protein and the ligand (throughout the entire

Thanks you in advance,


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