[gmx-users] Compiling g_correlation
Jorge Fernández de Cossío Díaz
j.cossio.diaz at gmail.com
Wed Apr 27 19:17:50 CEST 2016
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
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
> > how to solve this (ideally without having to install/compile gromacs 3 as
> > well).
> > best
> > --
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