Hey James,
what do think of using trjconv
1- If you know how long your trajectory is, you could specify with -dump
the time of the last frame. I think you can find out the length of your
trajectory either with gmxcheck or trjconv -dump -1 (this will print out
the time of the last frame).
2- -skip # takes only every #th frame.
Best regards
Sebastian
On 29.01.2013 07:28, James Starlight wrote:
Dear Gromac's users!
I have long trajectory with small intervals between individual
time-steps. Using editconf I'd like:
1- To extract last frame in pdb from my trajectory
(e.g for extraction of the first frame I'm using but its not working
with -dump -1 )
2- To convert my trajectory into xtc with larger time interval
beetween snapshots. E.g on the initial trajectory I wrote snapshots
with nstxout = 1000 but I'd like to obtain output trajectory with
nstxout = 3000. How It could be done?
Thanks for help,
James
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Sebastian Breuers Tel: +49-221-470-4108
EMail: [email protected]
Universität zu Köln University of Cologne
Department für Chemie Department of Chemistry
Organische Chemie Organic Chemistry
Greinstraße 4 Greinstraße 4
Raum 325 Room 325
D-50939 Köln D-50939 Cologne, Federal Rep. of Germany
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