[gmx-users] Compiling g_correlation

[Jorge Fernández de Cossío Díaz]

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?

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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>>
>>
>