Re: [gmx-users] Fw: g_hbond segmentation fault

2010-09-28 Thread Yao Yao 
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  wrote:

> From: Erik Marklund 
> Subject: Re: [gmx-users] Fw: g_hbond segmentation fault
> To: "Discussion list for GROMACS users" 
> Date: Tuesday, September 28, 2010, 6:22 PM
> 
> 
>   
> 
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> 
>   
>   
> 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 4537fax: +46 18 511 755
> er...@xray.bmc.uu.se
>http://folding.bmc.uu.se/
> 
>   
> 
> 
> -Inline Attachment Follows-
> 
> -- 
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Re: [gmx-users] Fw: g_hbond segmentation fault

2010-09-28 Thread Erik Marklund 

 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 4537fax: +46 18 511 755
er...@xray.bmc.uu.sehttp://folding.bmc.uu.se/

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[gmx-users] Fw: g_hbond segmentation fault

2010-09-28 Thread Yao Yao 




--
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


      



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