[gmx-users] How to evaluate the Hbond and non-bonded interactions between ligand-receptor

[mmousivand93]

Dear all users 

Hi, I have run molecular dynamic for SSDNA-Ligand (50ns), I am going to
determin the most efficient interactions(the Hbond and non-bonded
interactions )  observed during 50 ns molecular dynamic simulations in
ssDNA-ligand complex. Using hbond command in gromacs I have see only 
the number of hydrogen bond,however I do not know what the second and
third columns represent in hbond.xvg?I used the following command for
Hbond analysis: HBOND –F trp_md.xtc –S trp_md.tpr –NUM trp_hnum.xvg 

Best regards 

Maryam