[gmx-users] Snapshots from trajectories

[Pandya, Akash]

Thank you very much. 


Akash

-----Original Message-----
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [mailto:gromacs.org_gmx-users-bounces at maillist.sys.kth.se] On Behalf Of András Ferenc WACHA
Sent: 12 June 2017 11:54
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] Snapshots from trajectories

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,
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