Hi everyone: I'm trying of install gromacs with mopac7 support, but it give a classical gromacs-mopac error:
../mdlib/.libs/libmd.so: undefined reference to `__ctype_b' collect2: ld returned 1 exit status make[3]: *** [grompp] Error 1 make[3]: Leaving directory `/usr/local/bio/gromacs-4.0.3/src/kernel' make[2]: *** [all-recursive] Error 1 make[2]: Leaving directory `/usr/local/bio/gromacs-4.0.3/src' make[1]: *** [all] Error 2 make[1]: Leaving directory `/usr/local/bio/gromacs-4.0.3/src' make: *** [all-recursive] Error 1 This was the command I used: ./configure --with-qmmm-mopac --enable-shared with: LIBS = -lmopac LDFLAGS = -L/usr/local/lib/ In /usr/local/lib is the libmopac.a with the fftw3* The libmopac.a was downloaded already compiled from the web (I don't know how to compile from mopac7 source) The f2c package is installed. Without the qmmm option, gromacs compile without problem I already read similars topics in the discusion list, and I followed all the solutions proposals, but always give the same error. I anyone can helpme I would thanx forever Felipe Villanelo Lizana Bioquímico Laboratorio de Biología Estructural y Molecular Universidad de Chile
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