[gmx-users] Electron Density

Sanket Ghawali sanket.ghawali at gmail.com
Tue Oct 4 16:46:18 CEST 2016


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


More information about the gromacs.org_gmx-users mailing list