[gmx-users] Radial distribution specifications

Justin A. Lemkul jalemkul at vt.edu
Fri Dec 4 03:49:30 CET 2009

Lum Nforbi wrote:
> Dear all,
>  I need to plot the radial distribution functions but I am not sure how 
> you specified the different radial pair distribution functions for H2O: 
> gOO, gOH and gHH, in order to have different plots.
> Please, can you help me out with this?

Use index groups that contain the atoms of interest.


> Thank you,
> Lum


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list