[gmx-users] Install gromacs with intermolecular bonded interaction support

[Hassan Aaryapour]

Dear Gromacs-Users,

I want to do a gromacs installation with intermolecular bonded interaction
support to apply a weak repulsive potential between ligands to avoid
aggregation. All of the patches in this URL (
https://gerrit.gromacs.org/#/c/2566/) were added or replaced with original
files in source of gromacs-5.0.5. for installing I obtained below error in
"make" step.

 $ cmake .. -DGMX_BUILD_OWN_FFTW=ON

$ make -j 8

....

[ 5%] Building C object
src/gromacs/CMakeFiles/libgromacs.dir/gmxpreprocess/topio.c.o

/home/qmmm/Documents/Softs/gromacs-5.0.5/src/gromacs/gmxpreprocess/topio.c:37:20:
fatal error: gmxpre.h: No such file or directory

#include "gmxpre.h"

^

compilation terminated.

src/gromacs/CMakeFiles/libgromacs.dir/build.make:537: recipe for target
'src/gromacs/CMakeFiles/libgromacs.dir/gmxpreprocess/topio.c.o' failed

make[2]: ***
[src/gromacs/CMakeFiles/libgromacs.dir/gmxpreprocess/topio.c.o] Error 1

make[2]: *** Waiting for unfinished jobs....

CMakeFiles/Makefile2:1653: recipe for target
'src/gromacs/CMakeFiles/libgromacs.dir/all' failed

make[1]: *** [src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2

Makefile:146: recipe for target 'all' failed

make: *** [all] Error 2


 I would greatly appreciate if someone could help me to resolve this error.

Best Wishes

Hassan