Hi, I've written the Gromacs Mail list before, but I did not get the answer that I wanted. I am new user Gromacs.
*1. I installed fftw-3.2.2 as following* a...@ab-desktop:~/Masaüstü/ cd fftw-3.2.2 a...@ab-desktop:~/Masaüstü/fftw-3.2.2 a...@ab-desktop:~/Masaüstü/fftw-3.2.2 ./configure --enable-threads --enable-float a...@ab-desktop:~/Masaüstü/fftw-3.2.2 make a...@ab-desktop:~/Masaüstü/fftw-3.2.2 make install * 2. I installed gromacs-4.5.1 as folowing* a...@ab-desktop:~/Masaüstü/gromacs-4.5.1 ./configure a...@ab-desktop:~/Masaüstü/gromacs-4.5.1 make a...@ab-desktop:~/Masaüstü/gromacs-4.5.1 sudo make install *"You need to either add the location of your Gromacs installation to your PATH (in whatever shell configuration file, likely .bashrc) or source GMXRC every time you log in to a new terminal. Once your Gromacs installation is recognized by your shell environment you can run all the commands."* I have read the installation instructions several times. I do not know how to apply what is said. I have 1.pdb file. I want to convert 1.gro and 1.top this file using pdb2gmx command. After this, what should I do? can you show me on the command? *pdb2gmx –f 1.pdb –o 1.gro –p 1.top* Thanks in advance -- Ahmet YILDIRIM
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