Hydrogen bond population as a function of position

User discussions
1

Dear Gromacs users,

Is there any tool in order to acquire the number of hydrogen bonds in a system as a function of position averaged over trajectory? For example, the number of Hbonds along x-direction in the simulation box?

Best regards,

Iman

2

In my knowledge. no. You can work on combinations of traj and distance (I hope that it should be possible to find pairs within specific range for example 3.5 Ang etc) analysis along the x-axis.

Mijiddorj

3

Thanks, Mijiddorj, Is there any other tool other than Gromacs analysis to do that?

Best regards,
Iman

4

I do not know. please use google search. I do not exactly know what do you want to tell this kind of analysis.

Mijiddorj