[gmx-users] pdb2gmx problem: one solution

Mark Abraham mark.abraham at anu.edu.au
Thu Jun 28 09:16:16 CEST 2007

> Ok, I solved the problem. To access the programs in directory directly,
> you have put this path into your PATH
> declaration. One way to do this permanently is to add it to your .bashrc
> file. and add the line
>   export PATH=/home/mydirectory/gromacs-3.3/src/kernel/:$PATH
> Then save the file, and type
> source ~/.bashrc

This is not a full working solution. You don't appear to have done a "make
install" like the installation instructions on the GROMACS webpages
suggest. It is not recommended that you attempt to run GROMACS from the
source installation directory. I strongly suggestion you do the
installation properly, and then source $GROMACSINSTALLDIR/bin/GMXRC and
you will achieve the above and a lot more, and save yourself lots of
hassle in the long run.


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