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<body class='hmmessage'><div style="text-align: left;">Hi,<br><br>What do you mean exactly with Hamiltonian replica exchange?<br><br>There is a (hidden) implementation of Hamiltonian exchange<br>for the free energy coupling parameter lambda in 4.0.<br>This uses delta_lambda*dH/dlambda iso delta_H,<br>which is why it is hidden.<br>In 4.1 we will use delta_H.<br><br>Berk<br></div><br><br><hr id="stopSpelling">> From: arloa@mail.fcq.unc.edu.ar<br>> To: gmx-users@gromacs.org<br>> Date: Tue, 14 Oct 2008 14:20:55 -0300<br>> Subject: [gmx-users] Hamiltonian replica exchange<br>> <br>> Hi,<br>> <br>> Is Hamiltonian replica exchange implemented in gmx 4.0?<br>> can't find it in the manual.<br>> <br>> Marcos.<br>> <br>> <br>> <br>> _______________________________________________<br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://www.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.org/search before posting!<br>> Please don't post (un)subscribe requests to the list. Use the <br>> www interface or send it to gmx-users-request@gromacs.org.<br>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php<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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