[gmx-users] water shell

Sichun Yang syang at physics.ucsd.edu
Sat Aug 20 00:05:04 CEST 2005

Dear all,

I'm trying to calculate the numbers of waters within a certein distances
of the atoms of several residues, similar to 'watershell' in
ptraj. Anyone has some suggestions on how to achieve that in gromacs?
I have searched the mailing list - the answers seem unclear to me at this 

Thank you.

More information about the gromacs.org_gmx-users mailing list