Re: [ESPResSo] pbc wrap

[Olaf Lenz]

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Hi!

On 06/09/2010 12:56 AM, Salvador Herrera Velarde wrote:
> However, although the command "pbc unwrap" works fine,  I still have the
> problem with pbc wrap (both versions).

I still cannot reproduce the problem. I cannot use your vmd_animation
script, as I do not have vmd_plg.tcl, but when I do the following:

from a shell:
> vmd *.pdb

and then use the following vmd commands:
> pbc set "35.0 35.0 35.0" -all
> pbc wrap -all
> pbc unwrap

...everything works fine.
What version of the pbctools are you using? Did you modify anything? Or
does the vmd_plg.tcl-file modify anything?

Olaf

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