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<body class='hmmessage'><div style="text-align: left;"><br></div><br><br><br><hr id="stopSpelling">> From: OZENGIN@KU.EDU.TR<br>> To: gmx-users@gromacs.org<br>> Date: Mon, 10 Mar 2008 09:37:34 +0200<br>> Subject: [gmx-users] pbc on the "xy" direction<br>> <br>> Hi all,<br>> <br>> I am performing an air/water interface simulation and I want to implement anisotropic pbc condition (pbc on the "xy" direction) to my system. <br>> I have searched the mailing-list but could not find an appropriate answer. In the manual, two options are given for -pbc ("xyz" and "no") .<br>> <br>> How can I implement it to my system? I use Gromacs 3.3.1 version.<br>> <br>> Thanks in advance<br>> Ozge Engin<br><br>This is a lot of work.<br>But luckily I have done this for version 4.0.<br>If you really need it you can check out the CVS version.<br><br>But in practice real 2D pbc is nearly never required.<br>One can use just as well use a box with a large z-dimension.<br>This is often also more efficient, since then one can still use grid neighbor searching,<br>which for large systems is MUCH faster than simple search.<br>Real 2D pbc is only required when one would for instance want<br>to evaporate molecules from a surface.<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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