[gmx-users] Error while configuring gmx-3.3.1

[Mark Abraham]

Hi,

Please use a more recent GROMACS version, unless you are actually a
forensic archaeologist.

Mark

On Wed, Aug 19, 2015 at 1:58 PM Padmani Sandhu <padmanisandhu09 at gmail.com>
wrote:

> Hello everyone,
>
> I am trying to install gmx-3.3.1 on ubuntu 14.04. I have compiled it using
> following commands:
>
> ./configure
> make
> 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 >
> gromppVUW784'
> 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
> problem*
>
> configure: creating ./config.status
> config.status: creating Makefile
> config.status: WARNING:  Makefile.in seems to ignore the --datarootdir
> setting
> config.status: creating src/Makefile
> config.status: WARNING:  src/Makefile.in seems to ignore the --datarootdir
> setting
>
>
> Please suggest some solution.
>
>
> Thanks
>
>
> Padmani
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