VMD-L Mailing List
From: Jim Pfaendtner (jpfaendt_at_hec.utah.edu)
Date: Thu Oct 16 2008 - 07:28:00 CDT
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Dear VMD-L,
I would like to be able to save an entire trajectory to a dcd file
from the command line in VMD. I know this is possible from the main
VMD window by using "Save Coordinates". However, I would like to use
VMD in text mode to align and unwrap a trajectory, and then write the
trajectory to a new file.
The commands writepdb and writedcd seem to use an atomselection as
their inputs which, I believe, can only be applied to a specific frame.
One option, of course, is to write each individual frame and then use
catdcd, but this is a bit cumbersome.
Thanks!
Jim
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