[gmx-users] Snapshots from trajectories
András Ferenc WACHA
wacha.andras at ttk.mta.hu
Mon Jun 12 13:03:55 CEST 2017
Dear Akash,
you might want to try gmx trjconv and give a PDB file for output (-o)
and choose a value for -dt (-dt 10000 for every 10 ns). Using -sep
writes each frame to a different file.
I hope that helped.
Best regards,
Andras Wacha
On 06/12/2017 12:44 PM, Pandya, Akash wrote:
> Hi,
>
> Is there any way to export snapshot images from the trajectory lets say every 10 ns during the course of the MD simulation?
>
>
> Akash
--
András Ferenc Wacha, PhD
research fellow, CREDO instrument responsible
Biological Nanochemistry Research Group
Institute of Materials and Environmental Chemistry
Research Centre for Natural Sciences
Hungarian Academy of Sciences (RCNS HAS)
Magyar tudósok körútja 2.
H-1117 Budapest, Hungary
Phone: +36-1-382-6427
Web: http://bionano.ttk.mta.hu,
CREDO SAXS instrument: http://credo.ttk.mta.hu
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