VMD-L Mailing List

From: Erica Smith (ejsmith_at_uh.edu)
Date: Wed Oct 15 2003 - 15:45:51 CDT

Hi,

I am a new user to NAMD and VMD and need some help.
I have generated a dcd trjectory file using NAMD with the DCDUnitcell
option. I have loaded my trajectory into VMD but I can't work out how
to write a tcl script to extract the unit cell lengths for each frame.
I found the molinfo command which gives them to me, I presume, for the
last frame but I want to see the unit cell lengths as a fucntion of
time? Can anyone help me out with some clues on how the scroipt would
go? I have looked at the examples in the script libraries etc but I
don't get it.

Thanks,
Erica.