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<body class='hmmessage'><div style="text-align: left;">Hi,<br><br>All options are described in share/html/online/mdp_opt.html<br>pbc=xy is what you would (probably) guess pbc in x and y only.<br>pbc=full is replaced by periodic_molecules, such that it can also<br>be used with pbc=xy.<br><br>Berk.<br><br></div><br><hr id="stopSpelling">> From: zhoubo81@gmail.com<br>> To: gmx-users@gromacs.org<br>> Date: Thu, 3 Apr 2008 11:55:22 +0800<br>> Subject: [gmx-users] difference between pbc = full and pbc =xy<br>> <br>> Dear all,<br>> <br>> I want to simulate an infinite inorganic surface in gmx 3.3.3 recently. As I<br>> know, pbc = full is required for the bonded interaction on the edges. When I<br>> check the newly CVS version, a new set named "pbc = xy" is implemented. I<br>> wonder if there is something different between the two sets. Thanks in<br>> advance. <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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