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On 15/06/2012 10:45 PM, Nidhi Jatana wrote:
<blockquote
cite="mid:CAP6Q9GpioR3z57J0cj4CQJn06v_+eFv5eL1VHC1Urm7KA-cMrA@mail.gmail.com"
type="cite">Dear Sir/Madam<br>
<br>
I checked up in the system, there was one version of gromacs in
/opt/bio/. I removed that and I reinstalled gromacs using the
following commands:<br>
tar -xvf gromacs-4.5.5.tar.gz<br>
cd gromacs-4.5.5<br>
./configure --program-suffix="_mpi"<br>
</blockquote>
<br>
This is not sufficient for making an MPI-aware mdrun. See <a
href="http://www.gromacs.org/Documentation/Installation_Instructions">http://www.gromacs.org/Documentation/Installation_Instructions</a><br>
<br>
<blockquote
cite="mid:CAP6Q9GpioR3z57J0cj4CQJn06v_+eFv5eL1VHC1Urm7KA-cMrA@mail.gmail.com"
type="cite"> make<br>
make mdrun -j 8<br>
make install<br>
make install-mdrun<br>
make links<br>
<br>
But now, its not running any commands. I made links and I made
entry into the .bashrc file by putting up the following command:<br>
export GMXRC=/usr/local/gromacs/bin/GMXRC<br>
</blockquote>
<br>
This is also not what <a
href="http://www.gromacs.org/Documentation/Installation_Instructions">http://www.gromacs.org/Documentation/Installation_Instructions</a>
says for you to do.<br>
<br>
Mark<br>
<blockquote
cite="mid:CAP6Q9GpioR3z57J0cj4CQJn06v_+eFv5eL1VHC1Urm7KA-cMrA@mail.gmail.com"
type="cite"><br>
Now, I am unable to run any coomand of gromacs. What could be the
possible solution.<br>
<br>
Thanking you<br>
<br>
Regards<br>
-- <br>
Nidhi Jatana<br>
Senior Research Fellow<br>
Bioinformatics Center<br>
Sri Venkateswara College<br>
(University of Delhi)<br>
Dhaula Kuan<br>
New Delhi-110021.<br>
<br>
<br>
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<br>
</blockquote>
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