[gmx-users] dipole derivative

David van der Spoel spoel at xray.bmc.uu.se
Sun Jan 18 09:58:16 CET 2015

On 2015-01-16 17:53, xy21hb wrote:
> Dear all,
> Has anyone calculated the dipole derivative with respect to normal mode coordinates in gromacs?
> It shoule be something like one of the outputs from DIPOles command in CHARMM software.
I haven't the faintest idea what that means.

But you could check the g_dipoles command which computes dipole 
distributions and the dielectric constant.
> Thanks,
> Yao

David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se

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