Hi,
No dipole moments are transfered from CPMD to Gromacs.
Berk.
> Date: Sat, 17 May 2008 12:44:43 +0200
> From: [EMAIL PROTECTED]
> To: gmx-users@gromacs.org
> Subject: [gmx-users] dipole momentum calculation in Gromacs/CPMD
>
>
> Dear all,
>
> Would some one please explain how the dipole momentum is calculated
> in the GMX interface? For the quantum part, is the calculation the
> same as that in CPMD, i.e., based on Wannier function if used?
>
> Thank you so much for your consideration.
>
> Best regards,
> Yun-an Yan
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