[gmx-users] Electron Density

[David van der Spoel]

On 04/10/16 16:46, Sanket Ghawali wrote:
> Dear, gmx-users,
>
> I am interested in calculating the electron density profile for my peptide.
> I wish to calculate for single residue in it. I am finding difficulty in
> creating electron.dat file. How do i write atom information for Leucine in
> the electron.dat file. I went through the manual but still finding it
> difficult an example on this would be great help.
>
> Thanks,
>
> Sanket
>
Stuff like this is not implemented in GROMACS. Try PyMol or something 
like that.

-- 
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