[gmx-users] Compiling g_correlation

Jorge Fernández de Cossío Díaz j.cossio.diaz at gmail.com
Wed Apr 27 17:05:35 CEST 2016

I'm trying to use g_correlation (
http://www.mpibpc.mpg.de/grubmueller/g_correlation) to compute the
correlations in a MD simulation. I am using GROMACS 5.1.2 and 4.6.5 (have

When I try to compile g_correlation, I get this error:

cc -O6 -fomit-frame-pointer -finline-functions -Wall -Wno-unused
-malign-double -funroll-all-loops -I/usr/include/libxml2
-I/usr/X11R6/include  -I/opt/gromacs/4.6.5/include/gromacs    -c -o
g_correlation.o g_correlation.c
In file included from g_correlation.c:47:0:
traj_stuff.h:10:19: fatal error: fatal.h: No such file or directory
 #include <fatal.h>
compilation terminated.
make: *** [g_correlation.o] Error 1

Apparently g_correlation was written in the time of gromacs 3. Any ideas of
how to solve this (ideally without having to install/compile gromacs 3 as


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