[gmx-developers] eigio.c bug?

Diego Pantano pantano at sas.upenn.edu
Tue Mar 13 17:20:46 CET 2007


Hi there!

I was working with write_eigenvectors function and when I tried to write 
(eigenvectors) with the parameter begin being different than 1 I 
obtained an incorrect eigenvector.trr file. I solved this patching 
src/tools/eigio.c with this:

--- eigio.c     2007-03-12 23:38:02.000000000 -0400
+++ eigio_d.c   2007-03-12 23:37:59.000000000 -0400
@@ -172,7 +172,7 @@
     {

         if (!bReverse)
-            vec = i;
+            vec = begin+i-1;
         else
             vec = ndim-i-1;


Let me know if this works.

Thanks.

Diego.



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