The units are indeed e- * Angstrom.
-Dan
On Thu, Oct 1, 2015 at 11:02 AM, Ucisik, Melek Nihan
<ucisik.illinois.edu> wrote:
> Hello,
>
> I am guessing the dipole moment calculated by the vector command of cpptraj is in eÅ units. Can someone confirm this?
> The manual says only the following about the units: “The vector is not converted to appropriate units, nor is the value well-defined if the atoms in the mask are not overall charge neutral.” Just wanted to make sure.
>
> Thanks,
>
> Nihan
>
> --------
>
> Melek Nihan Ucisik, PhD
> Department of Chemistry
> University of Illinois at Urbana-Champaign
> E-mail: ucisik.illinois.edu<mailto:ucisik.illinois.edu>
> Web: http://meleknihanucisik.weebly.com
>
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--
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Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
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Received on Thu Oct 01 2015 - 12:00:03 PDT
