VMD-L Mailing List

From: Vani Krishna (vakri2002_at_yahoo.com)
Date: Fri Jan 21 2005 - 23:44:07 CST

Dear VMD users:

I have a question regarding the wrapped version of DCd
files and rewriting them. I have a configuration for
the system, which was run by NAMD with 'wrap ON'.
Unfortunately towards the end of the system run, the
wrapping has really distorted my system (e.g, water in
between lipid head groups!). I want to make a movie
out of this, but it really looks ugly with things
jumping in and out of the box and also analysis is
kind of hard this way.

Is there any script out there that i can use in VMD,
where I can choose the center of the box and wrap it
and write a new DCD?

Thanks
Vani

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