i had followed the instructions in themnaual for ninbonded interactions adn had created two tables one for nacl adn other table for water ion interations...i wanted some information on how to use these tables for starting thee simulation <br>
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<div class="gmail_quote">On Mon, May 9, 2011 at 11:20 AM, Mark Abraham <span dir="ltr"><<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
<div class="im">On 9/05/2011 3:46 PM, sreelakshmi ramesh wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">dear gmx users,<br> i have to simulate nacl in water...the system is acubic box with just one na adn one cl ion in tip3p water.i wanted to use a buckingham potential for na adn cl interaction and lennard jones for water -ion intercation.i really dont have any idea on how to do this.any help will be of great use for me...<br>
</blockquote><br></div>Can't be done simply. You'd have to use non-bonded interaction tables for the Na-Cl interaction with properly constructed energy groups. Search the manual and webpage for details.<br><br>Mark<br>
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