[Chimera-users] loading trajectories with no box line
Eric Pettersen
pett at cgl.ucsf.edu
Wed Apr 25 10:38:43 PDT 2012
Hi MIchael,
I'm not 100% sure what "stay in register" means, but if it means that
molecules are being "wrapped" across box boundaries then you need to
use the ptraj "image" command to keep molecules from wrapping across
box boundaries (Chimera currently has no ability to do this wrapping
on its own). If this isn't what "stay in register" means then please
explain further...
--Eric
Eric Pettersen
UCSF Computer Graphics Lab
http://www.cgl.ucsf.edu
On Apr 24, 2012, at 1:40 PM, Michael F. Bruist wrote:
> Is there a way to load trajectories that do not have box lines? I
> have trajectories from which most solvent and ions have been
> stripped. They were written with ptraj as amber coordinate files
> with the "nobox" option. I cannot get these to stay in register for
> MD movie. I do not have this problem for trajectories for which the
> box line has not been removed.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/attachments/20120425/023bcd26/attachment.html>
More information about the Chimera-users
mailing list