[gmx-users] Problems with gromacs-openMM

Rossen Apostolov rossen.apostolov at cbr.su.se
Wed Jan 27 11:07:39 CET 2010


try to do add the OpenMM library dir to your library path before running 

$ export LD_LIBRARY_PATH=/opt/openmm/lib:$LD_LIBRARY_PATH

Also, OpenMM support will be officially available in the next Gromacs 
release (soon).


On 1/27/10 4:28 AM, jorge_quintero at ciencias.uis.edu.co wrote:
> 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

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