[gmx-users] problem in ngmx

[Florian Dommert]

* Justin A. Lemkul <jalemkul at vt.edu> [2009-06-13 07:31:17 -0400]:

>
>
> Ms. Aswathy S wrote:
>> Hi,
>>
>> after equlibration of my protein and ligand I tried to create the energy file ans well as the to display the trajectories using ngmx option,. But it shows the follo: error,
>>
>> Xlib: connection to ":0.0" refused by server
>> Xlib: No protocol specified
>>
>> Can't connect to X Server.
>> Check your DISPLAY environment variable
>>
>
> Seems like your X environment is somehow not properly configured.

Or you are tunneling through a SSH connection. There are several
possiblities:

  1. Try ssh -X to login, this could solve the problem, if you are in
  principle allowed to use X11 tunneling.
  2. In case this does not work either it can be that you are not allowed
  to tunnel X11.

However take care that you also need a properly configured XServer
running on your own system not just on the host you login. So in case
you use Windows or MacOS make sure this is the case.

Flo


>
>> ************************************************
>>
>> also the g_energy command shows that ,
>>
>> Program g_energy_mpi, VERSION 3.3.3
>> Source code file: enxio.c, line: 239
>>
>> Fatal error:
>> Energy file eq_2ps_ener.edr not recognized, maybe different CPU?
>>
>
> What does gmxcheck tell you about the file.  Perhaps it has been 
> corrupted in some way.
>
> Also, you may want to work with a more current version (4.0.5) to utilize 
> the newest features and bug fixes.
>
> -Justin
>
>>
>> Can any one help me, please???
>>
>> Thanks,
>> Aswathy
>> ASBT
>> Dept. Biotechnology
>> Ext. 3108
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>
> -- 
> ========================================
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
> ========================================
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-- 
Florian Dommert
Dipl.-Phys.

Institute for Computational Physics
University Stuttgart

Pfaffenwaldring 27
70569 Stuttgart

Tel: +49 - 711 / 6856-3613
Fax: +49 - 711 / 6856-3658

EMail: dommert at icp.uni-stuttgart.de
Home: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert

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