[gmx-users] Instalation of GROMACS

[Erik Lindahl]

Tanos C. C. França wrote:

>	Hi all,
> 	I'm trying to install GROMACS with double precision in a machine where I
>already have GROMACS 3.0 installed. I've followed the instructions in
>GROMACS site and I've been sucssesfull in downloading and installing fftw
>files and GROMACS 3.1 in the root but they aren't working. What am I doing
>wrong ? Should I first uninstall GROMACS 3.0 ? If so, How do I do this ? I
>tryed delete the GROMACS 3.0 files in root but it didn't worked out. After
>GROMACS is isntalled is there any additional command to make it work ?
>	Thanks a lot.
> 	Tanos.
>
Hi Tanos,

You'll have to clarify what "not working" means - what kind of error 
message did you get?

Are the fftw libraries installed correctly, btw? You can see that when 
you run the Gromacs configure script -
it halts if it doesn't find the libraries.


Cheers,

Erik