From: Vani Krishna (vakri2002_at_yahoo.com)
Date: Mon Jun 28 2004 - 22:03:45 CDT
John:
i tried using the script but there are some problems.
the coordinates in this case are wrapped such that
there are these weird bonds going across the box. if i
just run for a few steps in NAMD with 'wrapAll' turned
on, there is wrapping, but no weird bonds across the
box. I don't know what is the difference between the
two wrappings
any suggestions?
Thanks
Vani
--- John Stone <johns_at_ks.uiuc.edu> wrote:
>
> Assuming you're using NAMD and you have the
> appropriate .xst files,
> then this script may do what you're asking for:
>
>
http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/pbcwrap/
>
> John Stone
> vmd_at_ks.uiuc.edu
__________________________________
Do you Yahoo!?
Yahoo! Mail Address AutoComplete - You start. We finish.
http://promotions.yahoo.com/new_mail
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:38:45 CST