Hello James,
Thank you for your reply and valuable information.
I tried running "gmx [command]" and it works.
Sorry for this fundamental question.
Regards,
Husen
On Tue, Apr 5, 2016 at 4:11 PM, James Graham wrote:
> Hi Husen,
>
> In GROMACS version 5.1 the default program naming scheme was c
Hi Husen,
In GROMACS version 5.1 the default program naming scheme was changed so
that everything is now part of the executable 'gmx'. Because of this
you need to use 'gmx pdb2gmx' (and e.g. 'gmx grompp', 'gmx mdrun') instead.
The change was actually made in version 5.0, but they left an opt
Dear all,
I already installed gromacs-5.1.2 succesfully with the following
instruction :
tar xfz gromacs-5.1.2.tar.gz
cd gromacs-5.1.2
mkdir build
cd build
cmake .. -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=ON
make
make check
sudo make install
source /usr/local/gromacs/bin/GMXRC
However, after finishing
