[gmx-users] paca 3d structure???

[라지브간디]

Thank you for your reply.


Actually I have done PCA for backbone and wants to see the motion projections of eigenvectors in 3d structure. 


The original trajectory only gives the normal snapshots of proteins but i want those in pca projection manner.


I can only able to extract the motions projection of eigenvectors for backbone and wants for full protein 3d structure?






Hi, 

The 3D structures are in the original trajectory. 
If you want particular 3D structure, e.g. corresponding to a certain 
projection, then look at the time corresponding to that particular 
projection and extract the frame at that time. 

Cheers, 

Tsjerk 


On Wed, Mar 6, 2013 at 5:13 PM, ��������������� <rajiv at kaist.ac.kr> wrote: 
> Dear gmx user, 
> 
> I have used g_covar and g_anaeig for backbone of proteins and got projections, 2d projections and so on. 
> What want to know is how do i get the 3D structure of the whole protein (not only backbone) ?