[gmx-users] using groups in index for gmx select

[Nikhil Maroli]

Hi,

>Basically I would like to select oxygen atoms of water molecules that are
>2 nm around the phosphate groups of one monolayer.


There is Tcl script available in NAMD for selecting the oxygen atoms
of water molecules that are XX nm around XXX. Sorry, I don't have the
link, but you can easily get it from the google search. Radial
distribution function might give some information about these, and you
can make a rough calculation out of that.