[gmx-users] Dihedral angle PCA

anu chandra anu80125 at gmail.com
Wed Apr 10 08:33:19 CEST 2013

Dear Gromacs users,

I would like to do side-chain dihedral angle PCA for my protein. The
protein contains 293 residues. I came across an explanation about dihedral
PCA in gromcas website (
http://www.gromacs.org/Documentation/How-tos/Dihedral_PCA). Is it possible
to do side-chain dihedral PCA using the same methodology? Is there any
other programmes anyone came across for side-chain dihedral PCA?

Waiting for your valuable reply.

Thanks in advance


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