Re: [gmx-users] anomalous eigenvector in PCA (Principal Component Analysis)

On 12/27/15 7:08 PM, Nima Soltani wrote: Justin Lemkul writes: On 12/27/15 6:48 PM, Nima Soltani wrote: Hi I have performed principal component analysis by using g_covar module of Gromacs 5.0 (Peptide's backbone atoms were selected both for least square fit and covariance

Re: [gmx-users] anomalous eigenvector in PCA (Principal Component Analysis)

On 12/27/15 6:48 PM, Nima Soltani wrote: Hi I have performed principal component analysis by using g_covar module of Gromacs 5.0 (Peptide's backbone atoms were selected both for least square fit and covariance analysis) then 2 extreme conformations along different eigenvectors derived by

[gmx-users] anomalous eigenvector in PCA (Principal Component Analysis)

Hi I have performed principal component analysis by using g_covar module of Gromacs 5.0 (Peptide's backbone atoms were selected both for least square fit and covariance analysis) then 2 extreme conformations along different eigenvectors derived by "g_anaeig -extr " The resulting structure look

Re: [gmx-users] anomalous eigenvector in PCA (Principal Component Analysis)

Justin Lemkul writes: > > > On 12/27/15 6:48 PM, Nima Soltani wrote: > > Hi > > I have performed principal component analysis by using g_covar module of > > Gromacs 5.0 (Peptide's backbone atoms were selected both for least square > > fit and covariance analysis) > > then 2

[gmx-users] anomalous eigenvector in PCA (Principal Component Analysis)

Hi I have performed principal component analysis by using g_covar module of Gromacs 5.0 (Peptide's backbone atoms were selected both for least square fit and covariance analysis) then 2 extreme conformations along different eigenvectors derived by "g_anaeig -extr " The resulting structure look