VMD-L Mailing List
From: Chathurika Abeyrathne (c.abeyrathne_at_student.unimelb.edu.au)
Date: Tue Jun 28 2011 - 04:48:54 CDT
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Hi,
I need to calculate the auto-correlation function (ACF) of total dipole
moment of Methanol box.
I obtained the total dipole moment from VMD and calculated the ACF manually.
However, this gives negative values.
In the selection tab i selected "all" the molecules. I didn't change the
scale or radius.
Do these things affect the total dipole moment.
Thank you.
Regards,
Chathurika.
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