[gmx-users] Compiling g_correlation

[Jorge Fernández de Cossío Díaz]

Great! That fixed it.
Just change the line "#include <fatal.h>"  in traj_stuff.h to "#include
<gmx_fatal.h>".
Thanks

On Wed, Apr 27, 2016 at 2:40 PM, Kutzner, Carsten <ckutzne at gwdg.de> wrote:

>
> > On 27 Apr 2016, at 19:42, Jorge Fernández de Cossío Díaz <
> j.cossio.diaz at gmail.com> wrote:
> >
> > I compiled gromacs 3.3.4, and pointed the g_correlation Makefile to its
> > directory, But compilation of g_correlation still complains that it can't
> > find "fatal.h". Any ideas?
> it has been renamed to gmx_fatal.h
>
> Carsten
> >
> > On Wed, Apr 27, 2016 at 1:21 PM, Jorge Fernández de Cossío Díaz <
> > j.cossio.diaz at gmail.com> wrote:
> >
> >> Okay, will try to compile using gromacs 3.3.
> >>
> >> But my simulation was run in 4.6.5. Will I be able to use g_correlation
> to
> >> analyze it?
> >>
> >> On Wed, Apr 27, 2016 at 1:17 PM, Jorge Fernández de Cossío Díaz <
> >> j.cossio.diaz at gmail.com> wrote:
> >>
> >>> Okay, will try to compile using gromacs 3.3.
> >>>
> >>> But my simulation was run in 4.6.5. Will I be able to use g_correlation
> >>> to analyze it?
> >>>
> >>> On Wed, Apr 27, 2016 at 11:09 AM, Sarath Chandra <
> >>> sarathchandradantu at gmail.com> wrote:
> >>>
> >>>> 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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