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Archive for February, 2011


Install GROMACS on Mac OS X

February 26th, 2011 by TimeArrow

Problem:
Any of the following error prompt may appear during installation:
“no C compile”
“cannot create C component”
“cannot find fftw3f library”
“command not found”
“cannot save”
———-
Simple solution:
1, install Dec2002DevToolsCD.dmg
2, install xcode3210a432.dmg
3, install fftw-3.2.2
In Terminal:
sodu -s ./configure –enable-float
make
make install

4, install gromacs-4.0.5
In Terminal:
sudo -s ./configure
make
make install

5, Modify PATH
Log out, log in as ROOT privilege,
Edit /etc/bashrc
Add one line as “PATH=$PATH:/usr/local/gromacs/bin”
Save and exit.