[gmx-users] energy groups for specific parts of the molecule

Hovakim Grabski hovakim_grabski at yahoo.com
Tue Jul 2 01:00:27 CEST 2013

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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