Questions inline...<br><br>
<div class="gmail_quote">On Mon, Aug 30, 2010 at 7:25 PM, Mark Abraham <span dir="ltr"><<a href="mailto:mark.abraham@anu.edu.au">mark.abraham@anu.edu.au</a>></span> wrote:<br>
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<div class="im"><br><br>----- Original Message -----<br>From: Sai Pooja <<a href="mailto:saipooja@gmail.com" target="_blank">saipooja@gmail.com</a>><br></div>
<div class="im">Date: Tuesday, August 31, 2010 2:45<br>Subject: Re: [gmx-users] LJ potential<br>To: Discussion list for GROMACS users <<a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a>><br>
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<div><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font><br><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>Thanks Mark. I have just 2 more queries regarding this.</div>
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<div><strong><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>When using tables for the potential, </strong></div>
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<div><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>1) For VdW interactions, it it alright to use the topology file generated by pdb2gmx using a forcefield (eg. CHARMM27) which specifies LJ paramters as 'sigma' and 'epsilon' instead of C6 and C12 as in the case of user defined potentials?</div>
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<div><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>I ask this because I get a warning when I try to do the above:</div></div>
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<div class="im"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>:WARNING 2 [file initffd.top, line 8082]:<br><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font> Using sigma/epsilon based combination rules with user supplied potential<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font> function may produce unwanted results<br><br></div>You will need to take suitable care. grompp will only use the combination rules if it cannot find an existing definition for that pair of atomtypes, so if you make all the definitions, you should be OK. A good way to test that you are on the right track is whether you can produce an energy group + table file that will reproduce the result GROMACS gets if you leave it alone.<br>
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<div>Mark I apologize but I did not understand your reply.. let me rephrase the question(I hope to get it right this time):</div>
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<div>In the table syntax... LJ potential uses the functional form with C6 and C12 rather tha sigma and epsilon.</div>
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<div>The forcefield files however specify sigma and epsilon for atom pairs.</div>
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<div>Now, if I want to use the <u>sigma and epsilon values in the forcefield file along with tables for energy calculation </u>do I need to change the forcefield files sigma and epsilon parameters to C6 and C12? If not, is there something else I must do for this to work?</div>
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<div class="im"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>2) If one is interested in using PME for electrostatic interactions but with different electrostatic interaction functions for different pairs of energygrps, is it alright to specify the simple coulomb function in the user defined table and use the PME-User option for coulombtype?<br>
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<div>Probably not. The form of the reciprocal-space PME term presupposes a simple Coulomb function on all atoms. So did the parameterization of the force field, so you're already taking your life in your hands :-)<br>
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<p><font color="#888888">How about a simple coulomb function multiplied by a constant?</font></p>
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<div class="gmail_quote">Pooja<br><br></div>
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<div class="h5"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>On Sun, Aug 29, 2010 at 7:54 PM, Mark Abraham <span dir="ltr"><<a>mark.abraham@anu.edu.au</a>></span> wrote:<br>
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<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>----- Original Message -----<br><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>From: Sai Pooja <<a>saipooja@gmail.com</a>><br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>Date: Monday, August 30, 2010 3:33<br><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>Subject: Re: [gmx-users] LJ potential<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>To: Discussion list for GROMACS users <<a>gmx-users@gromacs.org</a>><br><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font><br>
<div><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>Hi,</div>
<div><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font> </div>
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<div><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>I am simulating a system of a protein in water. I am trying to run the simulation with a modified protein-water LJ and coulomb interaction. Since LJ and coulomb interaction parameters are defined at the atomic level in the forcefield files, I cannot figure out a good way to modify them for protein-water interactions specifically. In other words, I want to modify the protein water interaction without altering protein-protein interaction.<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font><br></div><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>Right, that's totally different from your first question, which implied only protein and thus intra-molecular interactions. When seeking help, you should make sure you make a complete description the first time, lest you waste everybody's time and effort. That's easier said than done, but you managed to do it on the second attempt :-)<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font><br><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>GROMACS allows you to use table lookups for non-bonded interactions, and to use different tables for interactions between different energy groups. So your problem reduces to generating the different tables and groups, and assigning tables to pairs of groups. Aspects of this process are discussed in several places in the manual.<br>
<font color="#888888"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font><br><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>Mark</font>
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<div><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font><br><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font><br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"></font><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>On Tue, Aug 24, 2010 at 8:31 AM, Florian Dommert <span dir="ltr"><<a>dommert@icp.uni-stuttgart.de</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: rgb(204,204,204) 1px solid"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>-----BEGIN PGP SIGNED MESSAGE-----<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>Hash: SHA1<br>
<div><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font><br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>On 08/24/2010 02:27 PM, Sai Pooja wrote:<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>> Hi,<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>><br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>> If there are n types of atoms in protein, how does one specify:<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>> 1) Different types of LJ non-bonded interactions for different pairs?<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>> 2) Modified Coloumb(by a pre-multiplier) interactions for different pairs?<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>><br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>> Pooja<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>><br>
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<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font><br>
</div><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>Hi,<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font><br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font> this can be defined in the top file. Take a look at the manual<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>regarding the force field and different function types for the nonbonded<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>interactions. This will surely help.<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font><br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>/Flo<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font><br>
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<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>Florian Dommert<br>
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<div><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>--<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>gmx-users mailing list <a>gmx-users@gromacs.org</a><br>
<a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target="_blank"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>http://lists.gromacs.org/mailman/listinfo/gmx-users</a><br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>Please search the archive at <a href="http://www.gromacs.org/search" target="_blank">http://www.gromacs.org/search</a> before posting!<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>Please don't post (un)subscribe requests to the list. Use the<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>www interface or send it to <a>gmx-users-request@gromacs.org</a>.<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>Can't post? Read <a href="http://www.gromacs.org/mailing_lists/users.php" target="_blank">http://www.gromacs.org/mailing_lists/users.php</a><br>
</div></div></blockquote></div></div></div>
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<div><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font><br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font><br clear="all">
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font><br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>-- <br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> </font>Quaerendo Invenietis-Seek and you shall discover.<br>
</div></div><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> -- <br>
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<div><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> gmx-users mailing list <a>gmx-users@gromacs.org</a><br><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> <a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/mailman/listinfo/gmx-users</a><br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> Please search the archive at <a href="http://www.gromacs.org/search" target="_blank">http://www.gromacs.org/search</a> <br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> before posting!<br><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> Please don't post (un)subscribe requests to the list. Use the <br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> www interface or send it to <a>gmx-users-request@gromacs.org</a>.<br><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>> Can't post? Read <a href="http://www.gromacs.org/mailing_lists/users.php" target="_blank">http://www.gromacs.org/mailing_lists/users.php</a> </div>
</div><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font><br><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>--<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>gmx-users mailing list <a>gmx-users@gromacs.org</a><br><a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target="_blank"><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>http://lists.gromacs.org/mailman/listinfo/gmx-users</a><br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>Please search the archive at <a href="http://www.gromacs.org/search" target="_blank">http://www.gromacs.org/search</a> before posting!<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>Please don't post (un)subscribe requests to the list. Use the<br><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>www interface or send it to <a>gmx-users-request@gromacs.org</a>.<br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>Can't post? Read <a href="http://www.gromacs.org/mailing_lists/users.php" target="_blank">http://www.gromacs.org/mailing_lists/users.php</a><br>
</blockquote></div><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font><br><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font><br clear="all">
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font><br><font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>-- <br>
<font style="FONT-WEIGHT: normal; FONT-SIZE: 14px; FONT-STYLE: normal; BACKGROUND-COLOR: rgb(245,248,240)">> </font>Quaerendo Invenietis-Seek and you shall discover.<br></div></div>> -- <br>
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<div class="h5">> gmx-users mailing list <a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a><br>> <a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/mailman/listinfo/gmx-users</a><br>
> Please search the archive at <a href="http://www.gromacs.org/search" target="_blank">http://www.gromacs.org/search</a> <br>> before posting!<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" target="_blank">gmx-users-request@gromacs.org</a>.<br>> Can't post? Read <a href="http://www.gromacs.org/mailing_lists/users.php" target="_blank">http://www.gromacs.org/mailing_lists/users.php</a> </div>
</div><br>--<br>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/mailman/listinfo/gmx-users</a><br>
Please search the archive at <a href="http://www.gromacs.org/search" target="_blank">http://www.gromacs.org/search</a> before posting!<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>
Can't post? Read <a href="http://www.gromacs.org/mailing_lists/users.php" target="_blank">http://www.gromacs.org/mailing_lists/users.php</a><br></blockquote><br><br clear="all"><br>-- <br>Quaerendo Invenietis-Seek and you shall discover.<br>