[gmx-users] Compiling g_correlation

[Sarath Chandra]

You have to use gromacs 3.3 and also will need lamboot and other
dependencies. Let me know how you progress. I recently installed it
On Apr 27, 2016 8:35 PM, "Jorge Fernández de Cossío Díaz" <
j.cossio.diaz at gmail.com> wrote:

> 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
> both).
>
> 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
> well).
>
> best
> --
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