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