[gmx-users] g_hbond

Nilesh Dhumal ndhumal at andrew.cmu.edu
Mon Apr 11 17:04:45 CEST 2011


I am trying to calculate number of hydrogen bond (O-H---CL)in my system.

I use the following command

 g_hbond -f 3.trr -s 3.tpr -n hbond18.ndx -nonitacc -num

Output file hbnum.xvg shows zero number of hydorgen bond.

Can you tell me why its showing zero no.

A strong peak is found in rdf between H and CL at 2.0 A.

I am using Gromacs 4.0.7 version.


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