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From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Jul 01 2011 - 10:45:16 CDT

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On Fri, Jul 1, 2011 at 11:06 AM, arash azari <arash.azari_at_gmail.com> wrote:
> Dear all,
>
> Sorry, I could not find useful post about catdcd and velocity dcd
> file. I would like to extract the velocities for a selection of atoms
> (or all atoms) from velocity dcd file. I tried catdcd command in this
> way:
>
> ./catdcd -o velocity_all.pdb -otype pdb  -first 0 -last 1000 -stride 1
> –s solvate.pdb vel_inp.dcd
>
> It creates a pdb file (or I can change it to xyz format).
> The questions:
> 1- Is this correct? The output file contains the velocities for each
> atom? If yes,

yes.

> 2- What is the unit of the velocities in the output file?
> (Angstrom/Pico second ?)

the units are whatever were in the .dcd file.
the numerical values are unchanged.

axel.

> Thank you,
>
> Yours faithfully,
> Arash
>
>
>
> --
> Arash Azari
>
>

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.

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