Re: pdb file from a particular configuration

From: Axel Kohlmeyer (
Date: Tue Jun 28 2022 - 04:53:09 CDT

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 <> 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;!!DZ3fjg!4KUvDFKKIfaHX49FZpGHr80VOqo_wSIi2eaHS-r0bERHoLfJ1AXh-uE0HRG2MUmdGdWkJz-x-Q-Sd-DBAQ$ 
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.

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