Gromacs Installation (double precision) on Linux

This video shows how to install molecular dynamics package, Gromacs on Linux along with fftw libraries (fftw 3.3). See below for concise instructions.

cd
mkdir fftw3.3
cd Desktop
wget http://www.fftw.org/fftw-3.3.tar.gz
tar xzvf fftw-3.3.tar.gz
cd fftw-3.3
./configure --prefix=/home/manchu/fftw3.3 --enable-threads --enable-sse2 --enable-shared
make
make install

cd
mkdir gromacs_install
cd Desktop
wget ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.5.5.tar.gz
tar xzvf gromacs-4.5.5.tar.gz
cd gromacs-4.5.5
./configure --prefix=/home/manchu/gromacs_install LDFLAGS=-L/home/manchu/fftw3.3/lib CPPFLAGS=-I/home/manchu/fftw3.3/include --disable-float
make
make install

Executables are in /home/manchu/gromacs/bin

Category:

Education

Tags:

• Gromacs
• fftw
• doule precision
• Linux
• molecular dynamics package

[nanirulz]

hi bro. thanks for the video. but i am not able to install. after giving "make" -command not found error is coming. please help me out in this

[beingchap]

thank u so much. i was struggling so much

[jojohtf]

Thanks So Much! This has been my stumbling block for months -- I'll try it out!

[xkurotenshix]

thanks! this video helped me a ton