[gmx-users] Problems with gromacs-openMM

[jorge_quintero at ciencias.uis.edu.co]

Hello everybody,


I tried to install gromacs 4.0.7 + openMM on Fedora core 10 x86_64, but I
had lots of problems with that.

I typed the configure options below to obtain a Makefile:

$ ./configure --enable-shared --prefix=/opt/gromacs_openmm
CPPFLAGS="-I/opt/openmm/include/openmm/ -I/opt/openmm/include/
-I/usr/local/cuda/include/" LDFLAGS="-L/opt/openmm/lib/"
LD_LIBRARY_PATH="/opt/openmm/lib/:/usr/local/cuda/lib64"

this was my result:

make[3]: *** No hay ninguna regla para construir el objetivo
`/usr/local/openmm/lib/libOpenMM.*', necesario para `grompp'.  Alto.
make[3]: se sale del directorio `/root/gromacs-4.0.7/src/kernel'
make[2]: *** [all-recursive] Error 1
make[2]: se sale del directorio `/root/gromacs-4.0.7/src'
make[1]: *** [all] Error 2
make[1]: se sale del directorio `/root/gromacs-4.0.7/src'
make: *** [all-recursive] Error 1

I appreciate your support

Best regards,


Jorge R. Quintero
Químico
Universidad Industrial de Santander
Bucaramanga, Santander - Colombia