[gmx-users] g_sorient

Kay Gottschalk kay.gottschalk at weizmann.ac.il
Sun Jul 6 17:45:01 CEST 2003

Hi there,

I want to use g_sorient to describe the orientation of 2 different 
subsets of water around my protein. I am not quite clear how the index 
file has to look like; do I have to use an index file with molecule 
numbers (as for g_msd), or with the atom number of the oxygen or with 
all atom numbers of the water molecules considered?

More information about the gromacs.org_gmx-users mailing list