[gmx-users] PCA

2012-11-05 Thread Tuba Kilinc
hi all, i would like to apply PCA (principal component analysis) for my peptides that i simulated. i do know PCA for one trajectory but what if i have more than one peptide ? how can i apply pca for example 10 peptides in a box ? typically, i start with a PCA on the simulation with g_covar -s

[gmx-users] PCA

2012-10-18 Thread Tuba Kilinc
hi all, i would like to apply PCA (principal component analysis) for my peptides that i simulated. i do know PCA for one trajectory but what if i have more than one peptide ? how can i apply pca for example 10 peptides in a box ? typically, i start with a PCA on the simulation g_covar -s protein