Re: [gmx-users] Snapshots from trajectories

[Pandya, Akash]

Thank you very much. 


Akash

-Original Message-
From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se 
[mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf Of András 
Ferenc WACHA
Sent: 12 June 2017 11:54
To: gmx-us...@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 1 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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Re: [gmx-users] Snapshots from trajectories

[András Ferenc WACHA]

Dear Akash,

you might want to try gmx trjconv and give a PDB file for output (-o)
and choose a value for -dt (-dt 1 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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Re: [gmx-users] Snapshots from trajectories

[Shweta Kumari]

You can use trjconv -f input.xtc -s input.tpr -dt 1 -sep  -o output.gro

On Mon, Jun 12, 2017 at 4:14 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
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
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>



-- 

--Thanks and Regards--

Shweta Kumari
M.Sc. Bioinformatics
Central University Of South Bihar, Patna

Project Assistant
Computational Structural Biology lab
CSIR-Institute of Genomics and Integrative Biology
Mathura Road, Sukhdev Vihar
New Delhi 110025
India

E-mail Id : shwetaasin...@gmail.com
Alternate e-mail id :  shweta.kum...@igib.in / shweta...@cub.ac.in
Mobile No. 8409033301
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[gmx-users] Snapshots from trajectories

[Pandya, Akash]

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
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