[gmx-users] protein-ligand analysis

mary ko maryko2019 at yahoo.com
Fri Mar 15 22:02:32 CET 2019

Hi all
How can I find the chains interacting, forming H-bonds and hydrophobic interactions after a protein-ligand simulation? I tried VMD but there seems not to be good options to characterize them all. Is it possible to do such analysis in VMD or Gromacs and how?

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