[gmx-users] g_dipoles

David van der Spoel spoel at xray.bmc.uu.se
Wed Jun 18 14:03:01 CEST 2003

On Wed, 2003-06-18 at 13:38, Kristina Nicole Woods wrote:
> Hi there,
> Using the -g option in g_dipoles produces a plot of the average
> correlation of dipole vectors as a function of distance (spatial dipole
> correlation function) as well as some other things.  My question is about
> the spatial dipole correlation function.  If I am using this option on a
> system of pure water (spc/e), is the distance in the plot the separation
> between oxygen atoms?
no, there is a flag to make it the distance between oxygen atoms.
(-gkratom IIRC)

> Thank you,
> Kristina :)
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David van der Spoel <spoel at xray.bmc.uu.se>

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