Una Bjarnadottir wrote:
Hi all and thanks Tsjerk for your reply
I found out I used the wrong group in the index file when running g_rmsf
But now when I run:
g_covar -f md.trr -s xaver.pdb -ascii covar.dat -ref
I get some memory error:
*** glibc detected *** g_covar: malloc(): memory corruption: 0x09b03660 ***
But g_covar runs fine using other -ref files like md.tpr but does not
accept the xaver.pdb file. My md.trr file is 541M does that has to do
with anything.
The matrix you are diagonalizing is probably too big. Reduce the
dimensionality of your problem - either system size or number of frames
(I can't be bothered working out which of them it should be... that's
your job :-) )
Mark
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