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From: sally cii (cii.sally_at_googlemail.com)
Date: Thu Jul 26 2007 - 07:03:51 CDT
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Hi, Olaf
Thank you for your reply. When I loaded the AMBER parm file (which should
contain box information) and then trajectories into VMD, by default VMD
draws a rectangular box for that trajectory, can I ask how does VMD makes
this box? and if I use this rectangular box rather than the original
truncated octahedral box to wrap the trajectory, how would that change the
trajectories?
Best regards,
Rachel
On 7/25/07, Olaf Lenz <olenz_at_fias.uni-frankfurt.de> wrote:
>
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> Hi!
>
> Rachel wrote:
> > Can anyone tell me how to wrap the trajecotries into a truncated
> > octahedral box? thank you for your help.
>
> The pbctools so far are only able to wrap into a parallelepiped or the
> corresponding rectangular box. Truncated octahedrons are not supported,
> yet. You would be very welcome to extend the pbctools plugin!
>
> Olaf
>
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