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<body class='hmmessage'><div style="text-align: left;"><br></div><br><br><br><blockquote><hr id="EC_stopSpelling">From: gmx3@hotmail.com<br>To: schneemilch@yahoo.com<br>Subject: RE: [gmx-users] couette flow<br>Date: Wed, 23 Apr 2008 11:57:17 +0200<br><br>
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<div style="text-align: left;"><br></div><br><br><br><hr id="EC_stopSpelling">> Date: Wed, 23 Apr 2008 02:34:49 -0700<br>> From: schneemilch@yahoo.com<br>> To: gmx-users@gromacs.org<br>> Subject: [gmx-users] couette flow<br>> <br>> Hi,<br>> Has anyone here used gromacs to simulate couette flows in slit pores? I can see that it would be possible to use the pull code but I would like to be able to run in parallel. Any tips before I begin modifying source code would be greatly appreciated.<br>> <br>> Cheers, Matt<br><br>I don't see what this has to do with the pull code. The pull code is made for forces between<br>centers of mass of groups.<br><br>There are already some external force options in the mdp file.<br><br>But I don't see how you would set up an unbiased couette flow.<br>In reality the flow is generated by a pressure difference.<br>In a simulation you can apply an external force or impose a velocity profile.<br>But both these options make presumptions about the force/flow profile.<br><br>Berk.<br><br><br><hr>Express yourself instantly with MSN Messenger! <a href="http://clk.atdmt.com/AVE/go/onm00200471ave/direct/01/" target="_blank">MSN Messenger</a>
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