[gmx-users] PSI

David van der Spoel spoel at xray.bmc.uu.se
Mon Mar 11 14:09:52 CET 2002

On Mon, 11 Mar 2002, Atom News wrote:

>Hi all,
>I calculate the phi/psi angles of the peptide (using g_angle). Psi can take 
>some values up to 500 degree. It is very strange. Can anyone give me an 
>explanation? Thank you.
I am guessing that it shows how the angle develops over time. This means 
angles can get larger than 180. If you don't do this you will have angles 
jumping from -179 to +179 all the time. If you want to see a nice plot, 
take the cosine of the angle (xmgrace will do it for you)

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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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