[gmx-users] make_hole error installation

Steffen Wolf swolf at bph.rub.de
Wed Jan 30 17:46:34 CET 2008

Hi Landry,
well: make_hole just works with Gromacs version 3.1.4 - download this
old version from the gromacs homepage, start from the beginning, and
everything should work fine.
J'espere que ca t'aide
> Hi
> I try to install gromacs with make_hole utility so I download the
> gromacs-3.3.2.tar.gz, I uncompress it, I download the mdrun_make_hole.tar.gz and
> uncompress it in the gromacs folder. After the ./configure command which
> completed successfully, I run the make command and I get the following error
> (the same that pragya chohan
> http://www.gromacs.org/pipermail/gmx-users/2007-November/030613.html ): 
> nonbonded.c: In function 'do_nonbonded':
> nonbonded.c:272: error: 'esolSPC' undeclared (first use in this function)
> nonbonded.c:272: error: (Each undeclared identifier is reported only once
> nonbonded.c:272: error: for each function it appears in.)
> nonbonded.c:276: error: 'esolTIP4P' undeclared (first use in this function)
> nonbonded.c:472: error: 'enlistWATER' undeclared (first use in this function)
> nonbonded.c:476: error: 'enlistWATERWATER' undeclared (first use in this function)
> nonbonded.c: In function 'do_nonbonded14':
> nonbonded.c:542: error: 'eelRF_NEC' undeclared (first use in this function)
> nonbonded.c:569: error: 'epbcFULL' undeclared (first use in this function)
> make[5]: *** [nonbonded.lo] Error 1
> make[5]: Leaving directory `/usr/local/gromacs-3.3.2/src/gmxlib/nonbonded'
> make[4]: *** [all-recursive] Error 1
> make[4]: Leaving directory `/usr/local/gromacs-3.3.2/src/gmxlib/nonbonded'
> make[3]: *** [all-recursive] Error 1
> make[3]: Leaving directory `/usr/local/gromacs-3.3.2/src/gmxlib'
> make[2]: *** [all-recursive] Error 1
> make[2]: Leaving directory `/usr/local/gromacs-3.3.2/src'
> make[1]: *** [all] Error 2
> make[1]: Leaving directory `/usr/local/gromacs-3.3.2/src'
> make: *** [all-recursive] Error 1
> However, after, I get no error when I install gromacs without the make_hole
> utility, so the problem comes from make_hole...
> Thanks in advance 

Dipl.-Chem. Steffen Wolf
Fellow of the Ruhr-University Research School
Department of Biophysics
University of Bochum
ND 04/67
44780 Bochum
Tel: +49 (0)234 32 28363
Fax: +49 (0)234 32 14626
E-Mail: swolf at bph.rub.de
Web: http://www.bph.rub.de 

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