[gmx-users] g_sorient

David spoel at xray.bmc.uu.se
Sun Jul 6 22:37:01 CEST 2003

On Sun, 2003-07-06 at 17:45, Kay Gottschalk wrote:
> 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?
I don't think you need an index file. Have you tries just playing with
the distances?

Groeten, David.
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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