[gmx-users] g_dist problems

[David van der Spoel]

Edvin Erdtman wrote:
> Hi again...
>>
>> How can we tell? You haven't given us your command line, or a 
>> meaningful chunk of output.
>>
> my command:
> 
> g_dist -f traj.xtc -n index.ndx -s topol.tpr
> 
> The output:
> ---
> Select a group: 0
> Selected 0: 'DPPC'
> Select a group: 1
> Selected 1: 'AL'
> Reading frame       0 time    0.000  Back Off! I just backed up dist.xvg 
> to ./#dist.xvg.1#
> Reading frame     400 time  200.000 
> -and then it stops! I need to hit ctrl-c
> 
> dist.xvg ends:
> 216.0000153    3.7260792    2.1281288    1.1397107   -2.8382730
> 216.5000
> 
>>> I tried to convert the trajectory using trjconv -pbc, but non of the 
>>> options seems to work.
> I thought that it maybe would help. Someone else (who had send a message 
> to this list Bug ? in PBC in g_dist, July 2006) had some problems with 
> g_dist and tried to convert the trajectory.
> 
Which compiler did you use?

How big is the trajectory file?

Does it really stop, or did you not wait long enough? (counter output is 
logarithmic)
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++