[gmx-users] g_sorient

David van der Spoel spoel at xray.bmc.uu.se
Mon Apr 22 23:32:14 CEST 2002


Is there anoyone out there that has used the g_sorient program (for 
publications)? I'm looking at the sord.xvg file containing orientation 
of solvent with respect to a solute and wondering why I'd want the
P2(cos(theta)) iso the P1(cos(theta)). Is there any possibility of 
comparing to (NMR) experiments which would yield similar information?

Interestingly my P2 seems to have more structure, but I think it is 
because there is no cancellation of 90 deg. and 270 deg. angles like there 
is in P1.

Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel

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