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<body class='hmmessage'><div style="text-align: left;">Hi,<br><br>You did not specify for which type of vdw and electrostatics you want this option.<br>For plain cut-off's it does not make sense.<br>In version 3.3 you can do what you want with the shift and switch options.<br><br>In the CVS version there are also Reaction-Field-zero and PME-Switch.<br><br>Berk.<br></div><br><br><hr id="stopSpelling">> From: jeetain@gmail.com<br>> To: gmx-users@gromacs.org<br>> Date: Sat, 19 Jul 2008 16:38:59 -0400<br>> Subject: [gmx-users] How to modify code so that rlist > rcoulomb<br>> <br>> Hi All,<br>> <br>> I want to simulate a system for which rvdw > rcoulomb and to account <br>> for LJ interactions correctly rlist should be greater than rvdw (if <br>> nstist != 1). For current gromacs setup rlist should be equal to <br>> rcoulomb. I searched the mailing list and there has been several <br>> discussions related to this issue such as,<br>> <br>> http://www.gromacs.org/pipermail/gmx-users/2006-July/022804.html<br>> <br>> I was wondering if anyone has implemented something already so that a <br>> system with, rlist > rvdw > rcoulomb, can be simulated without any <br>> problem. Can anyone please guide me what files / variables should be <br>> changed to implement this.<br>> <br>> Thanks,<br>> Jeetain <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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