[gmx-users] g_hbond: range checking error

Shubhangi Gupta ignahbuhs.gupta6 at gmail.com
Tue Apr 26 13:01:19 CEST 2016

Hi all,

         I want to calculate the number of hydrogen bonds between protein
and solvent. I am using g_hbond (gromacs 5.0.2) with the two groups -
protein and SOL. When i run the command, I get a *Range Checking error*

*Variable gx has value -3. It should have been within [0 ..19]*

However when i do the same and choose the two groups as protein and
protein, the command goes through.

Any help is greatly appreciated.


Shubhangi Gupta
PhD Research Scholar (YUS lab)
Dept of Chemistry
Indian Institute of Technology Bombay
Powai, Mumbai-400076.

e-mail ID: ignahbuhs.gupta6 at gmail.com
               144033008 at iitb.ac.in

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