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No, you can not use pair parameter generation at all with Buckingham,<br>since 1-4 interactions are always LJ and you can not convert Buckingham<br>to LJ parameters. Unfortunately Gromacs 4.0 does not check for gen-pairs=yes,<br>Gromacs 4.1 will give a fatal error when you turn it on.<br><br>Dispersion correction works for Buckingham.<br><br>Berk<br><br><hr id="stopSpelling">To: gmx-users@gromacs.org<br>From: apaluch@nd.edu<br>Date: Mon, 3 Aug 2009 20:22:52 -0400<br>Subject: [gmx-users] FudgeLJ<br><br>
To whom this may concern,<div><br></div><div>Is it possible to use FudgeLJ to scale 1-4 interactions when using a Buckingham Potential? Also, are long range corrections implemented for the Buckingham Potential?</div><div><br></div><div>Thank you,</div><div><br></div><div>Andrew<font class="EC_Apple-style-span" size="3"><span class="EC_Apple-style-span" style="font-size: 12px;"><span class="EC_Apple-style-span" style="font-size: medium;"><br></span></span></font><div> </div><br></div><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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