[gmx-users] trjconv problem

[Anton Feenstra]

David van der Spoel wrote:
> 
> On Tue, 2002-12-17 at 16:31, Dmitry Kovalsky wrote:
> > Hi,
> > I'm trying to extract on frame from a 3 ns-long trajectory
> > and always got the following message
> > [dikov at violet test_4_0.12]$ trjconv -f md_5ns_test_b.xtc -s md_5ns_test_b.tpr
> > -b 2700 -e 2700 -o 2700.gro
> > ....
> > ....
> > Last frame        349 time 2350.136
> >
> > Precision of md_5ns_test_b.xtc is 0.001 (nm)
> > Using output precision of 0.001 (nm)
> >
> > WARNING no output, trajectory ended at 2700.14
> 
> first off, you can use -dump 2700
> second, are you sure? Did you run gmxcheck -f md_5ns_test_b.xtc ?

The Gromacs trajectory input routines do not make a distinction between
reading a trajectory that ends at 2700 ps, or a reading a longer one
while using '-e 2700'. As David points out, -dump should work, but else
you could try '-b 2700 -e 2700.5' or something similar.


-- 
Groetjes,

Anton
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|        | Anton Feenstra                                            |
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