[gmx-users] good reference for PCA in gromacs

Mark Abraham Mark.Abraham at anu.edu.au
Fri Dec 16 00:50:20 CET 2011


On 16/12/2011 10:47 AM, Sanku M wrote:
> Hi,
>   I am wondering whether someone can suggest a reference paper based 
> on which all gromacs principal component analysis (PCA) analysis ( i.e 
> g_covar and g_anaeig tools) tools are based . Or, any other review 
> articles on  PCA analysis  is based will also be useful.
>

I would recommend sections 8.10-8.11 of the manual and refs therein.

Mark
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