Dear GMX users:
I'm facing problems installing Gromacs 4.0.2 with mopac7 QM/MM.
I have downloaded MOPAC7 for SourceForge, as linked in previous mails, and
installed it. After, MPICH and fftw 3.0.1. So: "./configure --enable-mpi
--with-qmmm-mopac" runs O.K., but, during "make":
(some shell indications in Portuguese):
---
make[3]: Entrando no diretório `/usr/local/gromacs-4.0.2/src/mdlib'
/bin/sh ../../libtool --tag=CC --mode=compile mpicc -DHAVE_CONFIG_H -I.
-I../../src -I/usr/include/libxml2 -I../../include
-DGMXLIBDIR=\"/usr/local/gromacs/share/top\" -O3 -fomit-frame-pointer
-finline-functions -Wall-Wno-unused -funroll-all-loops -MT qm_mopac.lo -MD -MP
-MF .deps/qm_mopac.Tpo -c -o qm_mopac.lo qm_mopac.c
mpicc -DHAVE_CONFIG_H -I. -I../../src -I/usr/include/libxml2 -I../../include
-DGMXLIBDIR=\"/usr/local/gromacs/share/top\" -O3 -fomit-frame-pointer
-finline-functions -Wall -Wno-unused -funroll-all-loops -MT qm_mopac.lo -MD -MP
-MF .deps/qm_mopac.Tpo -c qm_mopac.c -o qm_mopac.o
qm_mopac.c:52:17: error: nsb.h: Arquivo ou diretório não encontrado
make[3]: ** [qm_mopac.lo] Erro 1
make[3]: Saindo do diretório `/usr/local/gromacs-4.0.2/src/mdlib'
make[2]: ** [all-recursive] Erro 1
make[2]: Saindo do diretório `/usr/local/gromacs-4.0.2/src'
make[1]: ** [all] Erro 2
make[1]: Saindo do diretório `/usr/local/gromacs-4.0.2/src'
make: ** [all-recursive] Erro 1
---
I took a look at Gromacs Wiki, but what I found there couldn't clear my
doubts...
Aditionally, I searched through the mailing lists and no reference for it is
given (also,
http://www.mpibpc.mpg.de/groups/grubmueller/start/people/ggroenh/qmmm.html
keeps giving me "page not found").
Have I missed any important step? Or commited any stupid mistake?
PS.: I have tried to run "make" before running configure without-qmmm-mopac, so
it should not be a MPI problem.
Best regards,
Laércio Pol-Fachin
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