From: Ribi Akbar (ra.ribiakbar_at_gmail.com)
Date: Tue Jun 28 2022 - 04:54:48 CDT
Dear Mr. Axel,
Thanks for your advice. I hope it works.
On Tue, Jun 28, 2022, 11:53 Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:
> In the GUI you can right click on the molecule in the main window and use
> the "Save Trajectory" dialog where you can set the frame (remember VMD
> counts start from 0).
>
> In the command window and from a script you can use the "animate write"
> command to do the same.
>
> On Tue, Jun 28, 2022 at 3:52 AM Ribi Akbar <ra.ribiakbar_at_gmail.com> wrote:
>
>> Hi,
>>
>> I am currently facing a problem when creating a PDB file from the dcd
>> file. Suppose that we have 10000 trajectories, each frame shows a different
>> configuration of the system (MD simulation) and we are interested in the
>> configuration at frame 5000 (MD simulation), is it possible to do this
>> using VMD? Thanks for your attention.
>>
>> Kind regards,
>> Ribi Akbar
>>
>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com https://urldefense.com/v3/__http://goo.gl/1wk0__;!!DZ3fjg!6xC-v2CaOauZIbPoqZ6sni8yNFUoknBQmHIRskl-hl4JtTrtiX-zgDpCnQKAny3L-QOKmrO7MTioqB1OXKCrlHA$
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste. Italy.
>
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