[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 2:48 PM, Jorge Fernández de Cossío Díaz <
j.cossio.diaz at gmail.com> wrote:

> 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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