[gmx-users] use of g_hbond

Valentin Gogonea v.gogonea at csuohio.edu
Sat Nov 30 22:00:44 CET 2002

I am trying to use the g_hbond analysis tool on a box containing the 
cpeptide (from the gmxdemo folder) to calculate the hydrogen bonds. I 
used g_hbond on a 2 ps trajectory of cpeptide in water (tip4p) 
selecting the System as first and second group:

g_hbond -debug -s cpeptide_md -f cpeptide_md

I got the following error message:

Select a group: 1
Select a group: 1
Calculating hydrogen bonds in one group of 216 atoms
Found 30 donors and 41 acceptors in group 'Protein'
trn version: GMX_trn_file
Reading frame       0 time    0.000   Bus error

I am using the pre-release version 3.1.5 (provided by Erik).

Can anybody tell me what may be the problem?

Thank you.


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