vijaya65 at hotmail.com
Thu Apr 22 18:56:32 CEST 2010
When I run make_edi with a small eigenvec.trr file it works, but gives me a segmentation fault when I input large .trr files generated using g_covar. These large eigenvector
files work well with g_anaeig and I have used them to generate projections as well as filtered trajectories.
The command line with options for make_edi is given below:
make_edi -linfix "4,5,7,8" -outfrq 500 -f eigvec.trr -s fframe.gro -o edsamp.edi -linstep ".0001 .0001 .0001 .0001"
One option would be to read the large eigenvec.trr file and write out only the eigenvectors
I need to a new file. Is there some way I can do that? Else, is there some way to modify
make_edi so I don't get a segmentation fault.
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