Dear Gromacs users, I ran a simulation between 6 molecules of Hypericin and 26 base pair long DNA, so for energy_grps I set HYP and DNA. Is there any way to get van der Waals and coulomb energy's of the interaction between hypericin and a specific parts of the DNA(phosphate groups for example)? Are there any tutorials? Thanks in advance, Hovakim Grabski Russia- Armenian(Slavonic) University
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