* Justin A. Lemkul <[email protected]> [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

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