[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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