[gmx-users] fail to start ngmx!

Tsjerk Wassenaar tsjerkw at gmail.com
Tue Mar 20 18:09:04 CET 2007

Hi Tengfei Luo,

It seems that you're trying to run ngmx over the network. You have to
have an active X windows connection for ngmx. Over the network you
could use ssh -X to go to another machine and keep your X connection
(and be able to run ngmx and such). Another possibility is ofcourse to
try to run the program locally.

This is not really a gromacs specific problem, but more reflects that
you're not (yet) used to using *nix operating sysems. It's a good idea
to start with that.

Good luck,


On 3/20/07, Tengfei Luo <luotengf at msu.edu> wrote:
> Dear all:
> I'm new in GROMACS and I encountered the following problem when I want
> running the demo. I don't have much knowledge of UNIX, could someone tell me
> how to solve this problem?
> I shall greatly appreciate any help!
> T.Luo
> -------------------------------------------------------------------------------------
>       :-)  G  R  O  M  A  C  S  (-:
>                    Groningen Machine for Chemical Simulation
>                             :-)  VERSION 3.3.1  (-:
>       Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
>        Copyright (c) 1991-2000, University of Groningen, The Netherlands.
>              Copyright (c) 2001-2006, The GROMACS development team,
>             check out http://www.gromacs.org for more information.
>          This program is free software; you can redistribute it and/or
>           modify it under the terms of the GNU General Public License
>          as published by the Free Software Foundation; either version 2
>              of the License, or (at your option) any later version.
>                                 :-)  ./ngmx  (-:
> Option     Filename  Type         Description
> ------------------------------------------------------------
>   -f       traj.xtc  Input        Generic trajectory: xtc trr trj gro g96
> pdb
>   -s      topol.tpr  Input        Generic run input: tpr tpb tpa xml
>   -n      index.ndx  Input, Opt.  Index file
>       Option   Type  Value  Description
> ------------------------------------------------------
>       -[no]h   bool     no  Print help info and quit
>        -nice    int      0  Set the nicelevel
>           -b   time      0  First frame (ps) to read from trajectory
>           -e   time      0  Last frame (ps) to read from trajectory
>          -dt   time      0  Only use frame when t MOD dt = first time (ps)
> Can't connect to X Server.
> Check your DISPLAY environment variable
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623

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