VMD-L Mailing List

From: Jennifer Williams (Jennifer.Williams_at_ed.ac.uk)
Date: Wed Feb 27 2008 - 04:18:56 CST

For the mailing list.

I'm using VMD to visualize trajectories from DL_POLY so I load a
DL_POLY_V2_HISTORY file. I would like to increase the number of
periodic images shown in the z direction for my entire trajectory. I
can't get this to work using the gui but it does work when I type in

molinfo top set {a b c alpha beta gamma} {46.4207, 43.6299, 18.9596 90
90 120}.

Following this I can then use the periodic images tab on graphics>
representations to increase the number of periodic images shown.

However this only changes 1 frame of my trajectory. Does anyone know
of a way of way (the simpler the better!) of applying this change to
all of my frames? I have converted my HISTORY file to a pdb file
containing multiple frames and tried adding

CRYST1 46.4207 43.6299 18.9596 90.0 90.0 120.0 P n m a

to each frame but this doesn't seem to work. (I am unsure of the space
group symmetry of my system-have tried a number of different ones but
nothing seems to work). I'm new to VMD and haven't used scripting
before so would appreciate any help,

Thanks

Jenny 

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