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<br><br>> From: x.periole@rug.nl<br>> To: gmx-users@gromacs.org<br>> Date: Mon, 16 Mar 2009 17:36:49 +0100<br>> Subject: [gmx-users] angular removal of COM and domain decomposition<br>> <br>> <br>> Dears,<br>> <br>> mdrun complains when I am asking for the angular removal of the COM <br>> together<br>> with dynamic load balance on (with gmx-4.0.4). It says the combination <br><br>You mean domain decomposition.<br><br>> is not<br>> implemented and suggests to use particle decomposition, which is <br>> unfortunately<br>> much much slower.<br>> <br>> What would happen if the use of angular removal of the COM was <br>> "imposed" in a<br>> subroutine implemented in an in house version (mean field boundary <br>> potential)?<br>> The code does not through the check_dd_restrictions so it is actually <br>> running but<br>> it is actually difficult to see what the removal of the COM does.<br>> <br>> Anyone would have an idea? may be Berk?<br>> <br>> Thanks,<br>> XAvier.<br><br>What do you mean with "imposed"?<br>If you impose it correctly, it would of course work.<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='_new'>MSN Messenger</a></body>
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