[gmx-users] different g_hbond result for two run

vivek sharma viveksharma.iitb at gmail.com
Fri Oct 3 12:03:19 CEST 2008

hi all,

I was trying to analyze some h_bond interaction for a protein with one
ligand. I tried two runs for the same one for 5 nsec and another for 10
What I found here is that, the h-bonds present in the 5 nsec trajectory are
more than that in 10 nsec trajectory, h-bonds in 10 nsec run should be at
least equal to that in 5 nsec run.

for the two trajectory i have taken out the 10 frames. are the interaction
picked up by g_hbond are dependent on the full trajectory or the frames
whether the two different run on the same input file with same parameter can
be related or compared ?

Can anybody help me in the same case by giving some explanation or giving
right way to do it ?

With Thanks,
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