From: Brian Radak (bradak_at_anl.gov)
Date: Tue Nov 08 2016 - 09:22:24 CST
I think the DCD standard expects/requires evenly spaced frames, so,
A close alternative is the "output <basename>" command, which triggers a
writing of coordinates, velocities, and extended system files based on
the provided basename. It's not pretty, but you can paste together a
bunch of binCoordinate files with catdcd when you are done.
On 11/08/2016 09:12 AM, Norman Geist wrote:
> Hey there,
> is there any TCL command that can be used to trigger a DCD frame,
> without using dcdfreq?
-- Brian Radak Postdoctoral Appointee Leadership Computing Facility Argonne National Laboratory 9700 South Cass Avenue, Bldg. 240 Argonne, IL 60439-4854 (630) 252-8643 brian.radak_at_anl.gov
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