[gmx-users] energy groups for specific parts of the molecule
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,
Russia- Armenian(Slavonic) University
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