[gmx-users] Gromacs + Mopac error

[raul arias]

I'm trying to compile Gromacs with mopac using the instructions in the tutorial
(the compilation of mopac was made with gfortran since f77 gave me error)

./configure --prefix=/home/raul/gromacs_mopac LIBS=-lmopac LDFLAGS="-L/home/raul/fftw/lib -L/home/raul/lib" CPPFLAGS="-DUSE_MOPAC -I/home/raul/fftw/include" --enable-mpi --disable-float --with-fft=fftw3 --with-qmmm-mopac

everything is gone fine, but when I tried to run my simulation AM1, gave me this error:

starting mdrun 'PHOTOACTIVE YELLOW PROTEIN'
5000 steps,      5.0 ps.
nr mm atoms in gaussian.c = 3027
Calling '(null)/(null) < input.com > input.log'
sh: 1: Syntax error: word unexpected
-------------------------------------------------------
Program mdrun_d, VERSION 4.5.5
Source code file: qm_gaussian.c, line: 913
Fatal error:
Call to '(null)/(null) < input.com > input.log' failed


when I try to compile with the option: --without-qmmm-gaussian
The error change to:

starting mdrun 'PHOTOACTIVE YELLOW PROTEIN'
5000 steps,      5.0 ps.
No information on the calculation given in <(null).ORCAINFO>
-------------------------------------------------------
Program mdrun_d, VERSION 4.5.5
Source code file: qm_orca.c, line: 144

Routine should not have been called:
qm_orca.c


Any suggestions for my problem!

Thank you.