<span lang="en"><span title="">Hi,<br><br>I've written the Gromacs Mail list before, but I did not get the answer that I wanted</span></span>. I am new user Gromacs. <br><br><b>1. I installed fftw-3.2.2 as following</b><br>
<p style="margin-bottom: 0cm;">ab@ab-desktop:~/Masaüstü/ cd
fftw-3.2.2<br>ab@ab-desktop:~/Masaüstü/fftw-3.2.2<br>ab@ab-desktop:~/Masaüstü/fftw-3.2.2
./configure --enable-threads
--enable-float<br>ab@ab-desktop:~/Masaüstü/fftw-3.2.2
make<br>ab@ab-desktop:~/Masaüstü/fftw-3.2.2 make install</p>
<b><br>2.
I installed
gromacs-4.5.1 as folowing</b>
<p style="margin-bottom: 0cm;">ab@ab-desktop:~/Masaüstü/gromacs-4.5.1
./configure <br>ab@ab-desktop:~/Masaüstü/gromacs-4.5.1
make<br>ab@ab-desktop:~/Masaüstü/gromacs-4.5.1 sudo make install</p><br><i>"<b>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.</b>"</i> <span id="result_box" class="" lang="en"><span style="" title=""><br>I have read the installation instructions several times.</span></span><br><span lang="en"><span title="">I do not know how to apply what is said.</span></span><br>
<br><span id="result_box" class="" lang="en"><span style="" title=""></span></span>I have 1.pdb file. I want to convert 1.gro and 1.top this file using pdb2gmx command.<br>
After this, what should I do? can you show me on the command?<br>
<b>pdb2gmx –f 1.pdb –o 1.gro –p 1.top</b><br><br><br>Thanks in advance<br clear="all"><br>-- <br>Ahmet YILDIRIM<br>