Hi&nbsp; <span class="gmail_quote">Florian Haberl ,<br>
<br>
Thanks for reply..<br>
<br>
Please go through the following...<br>
<br>
</span><br><div><span class="gmail_quote">On 12/29/05, <b class="gmail_sendername">Florian Haberl</b> &lt;<a href="mailto:Florian.Haberl@chemie.uni-erlangen.de">Florian.Haberl@chemie.uni-erlangen.de</a>&gt; wrote:</span>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">hi,<br><br>On Thursday 29 December 2005 13:19, Dhananjay wrote:<br>&gt; Hi all,<br>&gt;<br>&gt; I have tried fresh installation on the node.
<br>&gt; I got following errors....<br>&gt; What is wrong here&nbsp;&nbsp;please tell me ?<br>&gt;<br>&gt; Gromacs-3.3<br>&gt;<br>&gt; 1. lam-7.0.6 installed.<br>&gt;<br>&gt; 2. fftw-3.0.1 installed by downloading fftw-3.0.1.tar.gz
<br>with downloading this it`s not installed ...<br>follow the howto on <a href="http://gromacs.org">gromacs.org</a></blockquote><div><br>
I have alrady installed according to the path suggested.&nbsp; I mean
to say that&nbsp; I have not used&nbsp; .rpm files but followed
following path:<br>
./configure<br>
make<br>
make install<br>
<br>
The installation is sussessfull.<br>
</div><br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">&gt;<br>&gt; 2. binutils can not install. Errors are as follows..<br>&gt;<br>&gt; make[2]: *** [
config.texi] Error 1<br>&gt; make[2]: Leaving directory<br>&gt; `/usr/data/dhananjay/Dhananjay_installation/binutils/binutils-2.16<br>&gt; /binutils/doc'<br>&gt; make[1]: *** [install-recursive] Error 1<br>&gt; make[1]: Leaving directory
<br>&gt; `/usr/data/dhananjay/Dhananjay_installation/binutils/binutils-2.16/binutils'<br>&gt; make: *** [install-binutils] Error 2<br><br>binutils should be installed on you basis system installation else update your<br>linux.
</blockquote><div><br>
Here&nbsp; I have tries again but of no use,&nbsp; still I am getting error message  <br>
<br>
<br>
</div>make[4]: Leaving directory `/usr/data/dhananjay/Dhananjay_installation/binutils/binutils-2.16/binutils/doc'<br>
make[3]: Leaving directory `/usr/data/dhananjay/Dhananjay_installation/binutils/binutils-2.16/binutils/doc'<br>
rm -f config.texi<br>
echo '@set VERSION 2.16' &gt; config.texi<br>
/bin/sh: line 1: config.texi: Permission denied<br>
make[2]: *** [config.texi] Error 1<br>
make[2]: Leaving directory `/usr/data/dhananjay/Dhananjay_installation/binutils/binutils-2.16/binutils/doc'<br>
make[1]: *** [install-recursive] Error 1<br>
make[1]: Leaving directory `/usr/data/dhananjay/Dhananjay_installation/binutils/binutils-2.16/binutils'<br>
make: *** [install-binutils] Error 2<br>
<br>
You said that &quot; binutils should be installed on you basis system installation else update your<br>
linux &quot; .&nbsp; What king of update I needed, whether advance version of Linux or&nbsp; upgradation of binutild in the system ?<br>
<br>
<br>
<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">&gt;<br>&gt; 3. Gromacs installation tried with mpi option as follows<br>&gt;<br>&gt; ./configure --enable-mpi --enable-shared
<br>&gt;<br>&gt; the error message:<br>&gt;<br>&gt; mpicc: No such file or directory<br>&gt; make[4]: *** [libgmx_mpi.la] Error 1<br>&gt; make[4]: Leaving directory<br>&gt; `/usr/data/dhananjay/Dhananjay_installation/Gromacs/gromacs-
3.3/src/gmxlib'<br>&gt; make[3]: *** [all-recursive] Error 1<br>&gt; make[3]: Leaving directory<br>&gt; `/usr/data/dhananjay/Dhananjay_installation/Gromacs/gromacs-3.3/src/gmxlib'<br>&gt; make[2]: *** [all-recursive] Error 1
<br>&gt; make[2]: Leaving directory<br>&gt; `/usr/data/dhananjay/Dhananjay_installation/Gromacs/gromacs-3.3/src'<br>&gt; make[1]: *** [all] Error 2<br>&gt; make[1]: Leaving directory<br>&gt; `/usr/data/dhananjay/Dhananjay_installation/Gromacs/gromacs-
3.3/src'<br>&gt; make: *** [all-recursive] Error 1<br>&gt;<br>&gt; Waiting for reply...<br><br>seems you don`t have a proper mpich installation<br>try<br>which mpicc to see if you have installed<br>perhaps with (s)locate or find you can see if mpich is installed proper.
<br>You also have to add then the directory to your path, if you use something<br>like (t)csh than: setenv $PATH foundedpath:$PATH</blockquote><div><br>
Using &nbsp; which and locate&nbsp; I found mpicc at&nbsp;&nbsp; /usr/bin/mpicc&nbsp; <br>
<br>
<br>
Now what should I do next ?<br>
<br>
<br>
Dhananjay<br>
<br>
&nbsp;</div><br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">&gt;<br>&gt; On 12/29/05, Dhananjay &lt;<a href="mailto:dhananjay.c.joshi@gmail.com">
dhananjay.c.joshi@gmail.com</a>&gt; wrote:<br>&gt; &gt;<br>&gt; &gt; Hello David,<br>&gt; &gt;<br>&gt; &gt; Yes I am also now confused and according to my administrator&nbsp;&nbsp;I have 16<br>&gt; &gt; nodes having operating system linux and the master&nbsp;&nbsp;is SF440&nbsp;&nbsp;which is
<br>&gt; &gt; having Solaries 9.0 operating system and N1GE 6.0 Software.<br>&gt; &gt;<br>&gt; &gt; Well I will compile every thing on one of the node and let you know the<br>&gt; &gt; results.<br>&gt; &gt;<br>&gt; &gt; Still if you have any thing to say please reply me ...
<br>&gt; &gt;<br>&gt; &gt; Thanks..<br>&gt; &gt;<br>&gt; &gt;<br>&gt; &gt; Dhananjay<br>&gt; &gt;<br>&gt; &gt;<br>&gt; &gt;<br>&gt; &gt; On 12/29/05, David van der Spoel &lt;<a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se
</a>&gt; wrote:<br>&gt; &gt; &gt;<br>&gt; &gt; &gt; Dhananjay wrote:<br>&gt; &gt; &gt; &gt; Thanks&nbsp;&nbsp;for reply,<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt; Well before that let me tell you about my system that just now I
<br>&gt; &gt; &gt; &gt; discussed with administrator.<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt; I have 16 node grid. (In last mail I said that I have 8 nodes but now<br>&gt; &gt; &gt; I<br>&gt; &gt; &gt; &gt; can use all 16 nodes)
<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt; In details:<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt; Operating System is Redhat WS 3.0 and 16 nodes are excutation host<br>&gt; &gt; &gt; which<br>&gt; &gt; &gt; &gt; are installed by N1Grid Engine&nbsp;&nbsp;
6.0 (i.e. N1GE 6.0 )<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt; Master N1GE is SF440&nbsp;&nbsp;which is having Solaries 9.0 operating system<br>&gt; &gt; &gt; and<br>&gt; &gt; &gt; &gt; N1GE 6.0 Software.<br>&gt; &gt; &gt;<br>&gt; &gt; &gt; This is confusing, you say you have Redhat WE 
3.0 and the lines below<br>&gt; &gt; &gt; show that you have Linux on your grid master, simultaneously you say<br>&gt; &gt; &gt; that you have Solaris on the master node. It is very unlikely that it<br>&gt; &gt; &gt; will work to mix operating systems.
<br>&gt; &gt; &gt; The easiest way is to install gromacs on the master node and use NFS to<br>&gt; &gt; &gt; ount a disk on the client nodes. You can even do it in your home<br>&gt; &gt; &gt; directory, provided it is called the same everywhere. Then the
<br>&gt; &gt; &gt; instructions on the gromacs site should be sufficient to install.<br>&gt; &gt; &gt;<br>&gt; &gt; &gt; If however the master runs solaris and the clients/nodes run Linux then<br>&gt; &gt; &gt; you should compile everything on one of the nodes.
<br>&gt; &gt; &gt;<br>&gt; &gt; &gt;<br>&gt; &gt; &gt;<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt; Also when I typed&nbsp;&nbsp; &quot;uname -a&quot; on command line I got following<br>&gt; &gt; &gt; information:<br>&gt; &gt; &gt; &gt;
<br>&gt; &gt; &gt; &gt; Linux cdfd-grid-master 2.4.21-19.ELsmp #1 SMP Thu Aug 12 23:22:47 EDT<br>&gt; &gt; &gt; &gt; 2004 x86_64 x86_64 x86_64 GNU/Linux<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt; I want to install Gromacs parallel&nbsp;&nbsp;version.&nbsp;&nbsp;Will installation on
<br>&gt; &gt; &gt; &gt; master N1GE is sufficient or I have to install it on all the nodes ?<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt; Second thing is master N1GE is having Solaries 9.0 operating System.<br>&gt; &gt; &gt; So
<br>&gt; &gt; &gt; &gt; will it be possible to install Gromacs-3.3 on Solaries 9.0 ?<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt; Let me tell you that I am not&nbsp;&nbsp;master of Computer Adminitration area<br>&gt; &gt; &gt; but
<br>&gt; &gt; &gt; &gt; still I wish to workout this installation. Therefore I am following<br>&gt; &gt; &gt; &gt; your instructions and suggestions...<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt; On 12/28/05, *David van der Spoel* &lt;
<a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</a><br>&gt; &gt; &gt; &gt; &lt;mailto: <a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</a>&gt;&gt; wrote:<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; Dhananjay wrote:
<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; Hello all,<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; I have tried and successfully installed Gromacs-3.3 on single<br>&gt; &gt; &gt; node.<br>
&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; Now I want to install parallel gromacs.<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; start (on the master node) with make distclean, then start from
<br>&gt; &gt; &gt; the<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; configure step again. It could be that the mpi library you have<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; installed is not in the proper binary format (i.e. 32 vs 64 bits).<br>&gt; &gt; &gt; &gt;
<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; when I tried it on the same node, I got error as follows:<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; /usr/lib/gcc-lib/x86_64-redhat-linux/3.2.3/../../../../lib64/libmpi.a:
<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; could not read symbols: Bad value<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; collect2: ld returned 1 exit status<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; mpicc: No such file or directory<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; make[4]: *** [libgmx_mpi.la] Error 1
<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; make[4]: Leaving directory<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; `/usr/data/dhananjay/Dhananjay_installation/Gromacs/gromacs-3.3<br>&gt; &gt; &gt; /src/gmxlib'<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; make[3]: *** [all-recursive] Error 1
<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; make[3]: Leaving directory<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; `/usr/data/dhananjay/Dhananjay_installation/Gromacs/gromacs-<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; 3.3/src/gmxlib'<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; make[2]: *** [all-recursive] Error 1
<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; make[2]: Leaving directory<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; `/usr/data/dhananjay/Dhananjay_installation/Gromacs/gromacs-3.3<br>&gt; &gt; &gt; /src'<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; make[1]: *** [all] Error 2
<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; make[1]: Leaving directory<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; `/usr/data/dhananjay/Dhananjay_installation/Gromacs/gromacs-<br>&gt; &gt; &gt; 3.3/src'<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; make: *** [all-recursive] Error 1
<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; I could not understand the meaning of these erre. Will anybody<br>&gt; &gt; &gt; please<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; tell me ?
<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; Presently I can use 8 nodes. Is there any specific<br>&gt; &gt; &gt; procedure/steps of<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; installation on nodes/grid ?<br>&gt;
&gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;&nbsp;&nbsp;I
mean to say should I start installation from master node&nbsp;&nbsp;?<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; 2 out og 8 nodes has gromacs-3.3 alrady installed.<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt; Dhananjay
<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;------------------------------------------------------------------------<br>&gt; &gt; &gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;_______________________________________________
<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;gmx-users mailing list<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;<a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a> &lt;mailto: <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org
</a>&gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;<a href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users</a><br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;Please don't post (un)subscribe requests to the list. Use the
<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;www interface or send it to <a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a><br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; &lt;mailto:<a href="mailto:gmx-users-request@gromacs.org">
gmx-users-request@gromacs.org</a> &gt;.<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&gt;<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; --<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; David.<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; ________________________________________________________________________
<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics<br>&gt; &gt; &gt; group,<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; Dept. of Cell and Molecular Biology, Uppsala University.<br>
&gt;
&gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; Husargatan 3, Box
596,&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;75124
Uppsala, Sweden<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;
phone:&nbsp;&nbsp;46 18 471
4205&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;fax: 46
18 511 755<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; <a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</a><br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; &lt;mailto:<a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</a>&gt;&nbsp;&nbsp;&nbsp;&nbsp;<a href="mailto:spoel@gromacs.org">
spoel@gromacs.org</a><br>&gt;
&gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp;
&lt;mailto:<a href="mailto:spoel@gromacs.org">spoel@gromacs.org</a>&gt;&nbsp;&nbsp;
<a href="http://xray.bmc.uu.se/~spoel">http://xray.bmc.uu.se/~spoel</a>&lt;<a href="http://xray.bmc.uu.se/%7Espoel">http://xray.bmc.uu.se/%7Espoel</a>&gt;<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; _______________________________________________<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; gmx-users mailing list<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; <a href="mailto:gmx-users@gromacs.org">
gmx-users@gromacs.org</a> &lt;mailto: <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a>&gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; <a href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users
</a><br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; &lt; <a href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users</a>&gt;<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; Please don't post (un)subscribe requests to the list. Use the
<br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; www interface or send it to <a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a><br>&gt; &gt; &gt; &gt;&nbsp;&nbsp;&nbsp;&nbsp; &lt;mailto:<a href="mailto:gmx-users-request@gromacs.org">
gmx-users-request@gromacs.org</a>&gt;.<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; ------------------------------------------------------------------------
<br>&gt; &gt; &gt; &gt;<br>&gt; &gt; &gt; &gt; _______________________________________________<br>&gt; &gt; &gt; &gt; gmx-users mailing list<br>&gt; &gt; &gt; &gt; <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org
</a><br>&gt; &gt; &gt; &gt; <a href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users</a><br>&gt; &gt; &gt; &gt; Please don't post (un)subscribe requests to the list. Use the
<br>&gt; &gt; &gt; &gt; www interface or send it to <a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a> .<br>&gt; &gt; &gt;<br>&gt; &gt; &gt;<br>&gt; &gt; &gt; --<br>&gt; &gt; &gt; David.<br>&gt; &gt; &gt; ________________________________________________________________________
<br>&gt; &gt; &gt; David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,<br>&gt; &gt; &gt; Dept. of Cell and Molecular Biology, Uppsala University.<br>&gt; &gt; &gt; Husargatan 3, Box 596,&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;75124 Uppsala, Sweden
<br>&gt; &gt; &gt; phone:&nbsp;&nbsp;46 18 471 4205&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;fax: 46 18 511 755<br>&gt; &gt; &gt; <a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</a>&nbsp;&nbsp;&nbsp;&nbsp;<a href="mailto:spoel@gromacs.org">spoel@gromacs.org</a><br>&gt; &gt; &gt; 
<a href="http://xray.bmc.uu.se/~spoel">http://xray.bmc.uu.se/~spoel</a> &lt;<a href="http://xray.bmc.uu.se/%7Espoel">http://xray.bmc.uu.se/%7Espoel</a>&gt;<br>&gt; &gt; &gt; ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
<br>&gt; &gt; &gt; _______________________________________________<br>&gt; &gt; &gt; gmx-users mailing list<br>&gt; &gt; &gt; <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br>&gt; &gt; &gt; <a href="http://www.gromacs.org/mailman/listinfo/gmx-users">
http://www.gromacs.org/mailman/listinfo/gmx-users</a><br>&gt; &gt; &gt; Please don't post (un)subscribe requests to the list. Use the<br>&gt; &gt; &gt; www interface or send it to <a href="mailto:gmx-users-request@gromacs.org">
gmx-users-request@gromacs.org</a>.<br>&gt; &gt; &gt;<br>&gt; &gt;<br>&gt; &gt;<br>&gt;<br>Greetings,<br><br>Florian<br><br>--<br>-------------------------------------------------------------------------------<br> Florian Haberl
<br> Computer-Chemie-Centrum<br> Universitaet Erlangen/ Nuernberg<br> Naegelsbachstr 25<br> D-91052 Erlangen<br> Mailto: florian.haberl AT <a href="http://chemie.uni-erlangen.de">chemie.uni-erlangen.de</a><br>-------------------------------------------------------------------------------
<br>_______________________________________________<br>gmx-users mailing list<br><a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users
</a><br>Please don't post (un)subscribe requests to the list. Use the<br>www interface or send it to <a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>.<br></blockquote></div><br>