Re: velocity file of atoms at each time step

Date: Mon Jun 20 2005 - 10:23:07 CDT

Hi Debashis,

Actually, it's easy: just use the velDCDfile and velDCDfreq parameters. (See
the User Guide.) This will create a binary DCD-format file for you, which
saves the atomic velocities as often as you like, analogous to the normal
DCD output for the atomic coords.

- Erik

C. Erik Nordgren, Ph.D.
Department of Chemistry
University of Pennsylvania


> Hello everyone?
> Can any body tell how in NAMD the velocity of atoms can be saved at each
> time step as the coordinate of each atom can be saved at each time step in
> the trajectory file?
> Any code or any hint will be highly appreacited ....
> debashis

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