VMD-L Mailing List

From: Wang Yi (dexterwy_at_gmail.com)
Date: Sat May 26 2012 - 14:27:25 CDT

VMD will show a 3-D arrow representing the dipole of your selected atoms. I guess the reason you didn't see it, is that VMD thinks your system has zero dipole --> no arrow.
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Yi (Yves) Wang
Duke University

On 2012-5-26, at 下午1:27, Andrew DeYoung wrote:

> Hi again,
>
> If the Gromacs configuration and trajectory file formats indeed do not
> support the inclusion of charge information, and if this will make
> monitoring the dipole moment using Dipole Moment Watcher, then I can think
> of one potential workaround.
>
> I can use the Gromacs utility g_dipoles to calculate the x, y, and z
> components of the dipole moment as a function of time (in addition to the
> norm of the dipole moment vector as a function of time) and print this
> information to a text file.
>
> So a possible workaround would be to somehow animate a 3-D arrow in VMD so
> that I can watch how the dipole moment vector changes as I watch the
> trajectory. Is it possible to input a list of vector components and draw
> the corresponding vector on the respective frames of the trajectory?
>
> Thank you!
>
> Andrew DeYoung
> Carnegie Mellon University
>