Hi,
I'm trying to do PCA on my system....Below is my input file...the mask
is recognised, but projection couldn't be done.....the error message is:
"WARNING in ptraj(), transformProjection: file E6PCA2.dat not opened,
ignoring command"
I've checked the eigenvector output file and there are eigenvectors..
Any Help is appreciated!
zt
trajin E6_md3.mdcrd
trajin E6_md4.mdcrd
strip :WAT
strip :Na+
strip :Cl-
rms first ~.H*
matrix distcovar name E6distcovar ~.H* byatom
analyze matrix E6distcovar out E6PCA2.dat vecs 5
projection modes E6PCA2.dat out E6PROJ.dat beg 1 end 3 ~.H*
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Received on Wed Aug 09 2006 - 06:07:12 PDT
