[gmx-users] unable to run md after installing another gromacs 3.3.3 after 3.3.2

[Mark Abraham]

Ross KK Leung wrote:
> Dear all,
> 
> I have both old 3.3.2 and new 3.3.3 gromacs installed and I don't know how
> to uninstall the old one. Is there any good solution to it?

Go to the 3.3.2 installation directory and issue "make uninstall". Or if 
you used an .rpm or such, look up how to uninstall with that. Then to be 
sure of things, go to 3.3.3 and "make install"

>  Because I keep
> getting "segmentation fault" due to inappropriate configuration, I guess.

Done properly two versions can co-exist easily. One key point is not 
installing them to the same directory - so use the --prefix command to 
configure. Also see the suggestions about using GMXRC here 
http://wiki.gromacs.org/index.php/Installation.

Mark