From: sally cii (cii.sally_at_googlemail.com)
Date: Thu Jul 26 2007 - 07:03:51 CDT

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:
>
> -----BEGIN PGP SIGNED MESSAGE-----
> Hash: RIPEMD160
>
> 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
>
> -----BEGIN PGP SIGNATURE-----
> Version: GnuPG v1.4.2 (GNU/Linux)
> Comment: Using GnuPG with SUSE - http://enigmail.mozdev.org
>
> iD8DBQFGp4rbtQ3riQ3oo/oRA9k6AJ9XgJU9KRS2WD6REfh83NcnsU9iwACgkHtn
> h7lSV6fCi7Lft6VjaqWlyu0=
> =2xxy
> -----END PGP SIGNATURE-----
>