[gmx-users] PCA of crystal structures
neeru.bioinfo at gmail.com
Mon Dec 22 06:05:01 CET 2014
I have carried out MD simulations of a Protein complex starting with the
active state conformation a particular crystal structure and have carried
out PCA analysis for the same too.
Now, I want to identify the location of all the crystal structures of the
same protein (Intermediate, active, inactive, mutants etc) on the PCA plots
too but I haven't run simulations for all of these.
Can anyone suggest me the way to do so?
C-DAC, Pune, India
More information about the gromacs.org_gmx-users