VMD-L Mailing List

From: Jim Pfaendtner (jpfaendt_at_hec.utah.edu)
Date: Thu Oct 16 2008 - 07:28:00 CDT

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