[gmx-users] g_hbond

Florian Haberl Florian.Haberl at chemie.uni-erlangen.de
Mon Dec 18 14:13:53 CET 2006


On Monday 18 December 2006 12:34, OZGE ENGIN wrote:
> Hi,
> I have a problem with g_hbond. I want to investigate the H bonds formed not
> only within the protein but also between water molecules and the protein.In
> this respect,  I select the group 0 --> 'system' option for both
> selections, an error message like the following one appears:
> Segmentation fault
> How can I fix this problem?

Please describe your system more:
how many atoms
how many water molecules

Does g_hbond run with your test system (20 aa some water molecules)

I think it is a memory problem, if you take too much atoms into account 
g_hbond can consume a little bit more memory (depends also on your options)

> Thanks in advance
> Ozge
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 Florian Haberl                        
 Universitaet Erlangen/ Nuernberg
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 Telephone:  	+49(0) − 9131 − 85 26581
 Mailto: florian.haberl AT chemie.uni-erlangen.de

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