[gmx-users] problem in ngmx

[Justin A. Lemkul]

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.

> ************************************************
> 
> 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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