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On 9/05/2011 4:01 PM, sreelakshmi ramesh wrote:
<blockquote
cite="mid:BANLkTinfz7bGZo_RgTkgVstkD7gsg8fYhw@mail.gmail.com"
type="cite">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...</blockquote>
<br>
That's not "I really don't have any idea on how to do this". Please
ask the question you want answered, or you're wasting everyone's
time.<br>
<br>
<blockquote
cite="mid:BANLkTinfz7bGZo_RgTkgVstkD7gsg8fYhw@mail.gmail.com"
type="cite">i wanted some information on how to use these
tables for starting thee simulation <br>
</blockquote>
<br>
Sorry, that's too general. You might want help with a command line,
or setting up the .mdp, or something else. Please read 6.7 of the
manual, try things, and ask a focused question.<br>
<br>
Mark<br>
<br>
<blockquote
cite="mid:BANLkTinfz7bGZo_RgTkgVstkD7gsg8fYhw@mail.gmail.com"
type="cite">
<div class="gmail_quote">On Mon, May 9, 2011 at 11:20 AM, Mark
Abraham <span dir="ltr"><<a moz-do-not-send="true"
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: 1px solid rgb(204,
204, 204);">
<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: 1px solid rgb(204,
204, 204);">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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</blockquote>
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