From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue Jun 28 2022 - 04:55:38 CDT
Please see the User's Guide.
On Tue, Jun 28, 2022 at 5:55 AM Ribi Akbar <ra.ribiakbar_at_gmail.com> wrote:
> 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!4yxulee0xn2OGDqEbntjj0jHyJr9Ln-tAxrH6JEOHb10OliNXASBR6_jpBubfTNU8dKrlJpoZiSDDkvFUQ$
>> College of Science & Technology, Temple University, Philadelphia PA, USA
>> International Centre for Theoretical Physics, Trieste. Italy.
>>
>
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com https://urldefense.com/v3/__http://goo.gl/1wk0__;!!DZ3fjg!4yxulee0xn2OGDqEbntjj0jHyJr9Ln-tAxrH6JEOHb10OliNXASBR6_jpBubfTNU8dKrlJpoZiSDDkvFUQ$ College of Science & Technology, Temple University, Philadelphia PA, USA International Centre for Theoretical Physics, Trieste. Italy.
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