[gmx-users] Error while configuring gmx-3.3.1
mark.j.abraham at gmail.com
Wed Aug 19 14:03:12 CEST 2015
Please use a more recent GROMACS version, unless you are actually a
On Wed, Aug 19, 2015 at 1:58 PM Padmani Sandhu <padmanisandhu09 at gmail.com>
> Hello everyone,
> I am trying to install gmx-3.3.1 on ubuntu 14.04. I have compiled it using
> following commands:
> sudo make install
> *However the program was installed but while running grommp, it was
> terminated with an error :*
> checking input for internal consistency...
> calling cpp...
> In file included from /usr/local/gromacs/share/top/ffoplsaa.itp:23:0,
> from topol.top:11:
> /usr/local/gromacs/share/top/ffoplsaabon.itp:2692:26: fatal error:
> BH4_oplsaa.itp: No such file or directory
> #include "BH4_oplsaa.itp"
> compilation terminated.
> cpp exit code: 256
> Tried to execute: 'cpp -I/usr/local/gromacs/share/top topol.top >
> The 'cpp' command is defined in the .mdp file
> processing topology...
> processing coordinates...
> Program grompp, VERSION 3.3.1
> Source code file: grompp.c, line: 448
> Fatal error:
> number of coordinates in coordinate file (conf_solv.gro, 317253)
> does not match topology (topol.top, 0)
> *I had an error while running ./configure that might be causing this
> configure: creating ./config.status
> config.status: creating Makefile
> config.status: WARNING: Makefile.in seems to ignore the --datarootdir
> config.status: creating src/Makefile
> config.status: WARNING: src/Makefile.in seems to ignore the --datarootdir
> Please suggest some solution.
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