[gmx-users] DETECTING HYDROGEN BONDS

[Subashini .K]

Hi gromacs users,


After protein ligand simulations, gave the following command to detect hydrogen bond


gmx hbond -f npt.trr -s npt.tpr -num hbond.xvg

After selecting protein and ligand


Obtained the following result


I am a beginner. Could someone help me  to interpret these numbers? The simulation was done for 2 ns



                0           2           1

              100           2           1

               200           1           0

               300           1           0

               400           1           0

               500           1           0

               600           1           0

              700           1           0

              800           0           0

              900           1           0

           1000           1           0

            1100           1           0

         1200           1           0

         1300           0           2

        1400           1           0

         1500           1           0

         1600           1           0

          1700           1           0

         1800           0           1

          1900           1           0

         2000           1           0


Thanks,

Subashini.K