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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