Hi Catherine,
I answer you in private because this is maybe not an AMBER issue. I had
to calculate same value. The problem is that it is a GROMACS value.
Here I put a tutorial that I wrote to calculate cosine content:
http://fertoledo.wordpress.com/2012/01/17/how-to-calculate-cosine-content-in-amber/
If you need some explanation, please, don't doubt to ask me.
Fernando
On Tue, 28 Feb 2012 16:58:12 +0800, Catein Catherine wrote:
> Dear AMBER experts,
> Any way to calculate cosine content of PCA analysis using AMBER's
> trajectories?
> Best regards,
> Catherine
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FERNANDO MARTIN GARCIA
GRUPO DE MODELADO MOLECULAR - LAB 312.1
CENTRO DE BIOLOGíA MOLECULAR SEVERO OCHOA
C/ NICOLáS CABRERA, 1.
CAMPUS UAM. CANTOBLANCO, 28049 MADRID. SPAIN.
TEL: (+34) 91-196-4662 FAX: (+34) 91-196-4420
Web: http://fertoledo.wordpress.com/
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Received on Tue Feb 28 2012 - 03:00:02 PST
