I do something like the following in cpptraj:
matrix covar name covar_mat byatom .CA # to get the covar matrix
(in this case not mass weighted)
go
diagmatrix covar_mat out covar_ca.matrix.modes vecs 1023 # to get the
diagonalization and by that the vectors
go
more details on that in the cpptraj description in the Ambertools manual
cheers
On 04/29/2014 05:40 PM, Ibrahim Said wrote:
> Dear Amber user
> Please, how can I get the eigenvectors and eigenvalues from mwcvmat.dat
> file.
> I calculated the mass-weighted matrix for CA atoms of my protein.
>
> Thank you in advance
>
> Ibrahim
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Received on Tue Apr 29 2014 - 09:00:05 PDT
