[gmx-users] g_hbond: range checking error

Erik Marklund erik.marklund at chem.ox.ac.uk
Tue Apr 26 14:10:21 CEST 2016


Strange. Do you get the same error with 5.1.2? If so, can you please file a redmine issue (http://redmine.gromacs.org/) and upload the input files that generate this error? Assign the issue to me.

Kind regards
Erik Marklund

On 26 Apr 2016, at 12:01, Shubhangi Gupta <ignahbuhs.gupta6 at gmail.com<mailto:ignahbuhs.gupta6 at gmail.com>> wrote:

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<mailto:ignahbuhs.gupta6 at gmail.com>
              144033008 at iitb.ac.in<mailto:144033008 at iitb.ac.in>
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