[gmx-users] Fw: g_hbond segmentation fault

Yao Yao yao0o at ymail.com
Tue Sep 28 23:59:22 CEST 2010


Hi Erik,

Sorry about that, I did not notice it.
I used the command line,
g_hbond -f test.trr -s test.tpr -ac test.xvg -e 100 -dt 1

Thanks,

Yao


--- On Tue, 9/28/10, Erik Marklund <erikm at xray.bmc.uu.se> wrote:

> From: Erik Marklund <erikm at xray.bmc.uu.se>
> Subject: Re: [gmx-users] Fw: g_hbond segmentation fault
> To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
> Date: Tuesday, September 28, 2010, 6:22 PM
> 
> 
>   
> 
>     
>     
>   
>   
>     Yao Yao skrev 2010-09-28 19.25:
>     
>       
>         
>           
>             
> 
>               
> 
>               
> 
>                 
> 
>                 ----------------------------------
> 
>                   Found 1048 different hydrogen bonds in
> trajectory
> 
>                   Found 2292 different atom-pairs within
> hydrogen
>                   bonding distance
> 
>                   Merging hbonds with Acceptor and Donor
> swapped
> 
>                   2/10915Segmentation fault
> 
>                   __________________________________
> 
>                   
> 
>                   Hi guys,
> 
>                   
> 
>                   I got the msg like above when I ran
> g_hbond in version
>                   4.5.
> 
>                   Any guess on the problem?
> 
>                   
> 
>                   Thanks,
> 
>                   
> 
>                   Yao
> 
>                   
> 
>                   
> 
>                         
> 
>                 
>               
>             
>           
>         
>       
>       
> 
>     
>     And I replied and asked you what was the command line.
> 
>     
> 
>     -- 
> -----------------------------------------------
> Erik Marklund, PhD student
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596,    75124 Uppsala, Sweden
> phone:    +46 18 471 4537        fax: +46 18 511 755
> erikm at xray.bmc.uu.se
>    http://folding.bmc.uu.se/
> 
>   
> 
> 
> -----Inline Attachment Follows-----
> 
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