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