VMD-L Mailing List

From: arash azari (arash.azari_at_gmail.com)
Date: Fri Jul 01 2011 - 10:06:11 CDT

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

Yours faithfully,
Arash 

-- 
Arash Azari