Thank you very much for the input Ivan.<br><br><div class="gmail_quote">On Mon, Oct 25, 2010 at 5:46 AM, Ivan Gladich <span dir="ltr"><<a href="mailto:igladich@purdue.edu">igladich@purdue.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
Dear Amit<br>
As far as I know, 3-body interaction potential is not defined in<br>
gromacs. If you want to introduce it in Gromacs, you have to change the<br>
source code. It is not easy but not impossible and it was already done<br>
for TIP4P, see Kumar and Skinner, J. Phys. Chem. B, 112,8311-8318, 2008<br>
<br>
I hope this help<br>
Ivan<br>
<div><div></div><div class="h5"><br>
Amit Choubey wrote:<br>
> Hi all,<br>
><br>
> I was wondering if there is a way to define user defined potential which<br>
> involves 3 particles. Thank you for any input.<br>
><br>
><br>
> Amit<br>
><br>
><br>
<br>
<br>
</div></div>--<br>
-------<br>
Ivan Gladich, Ph.D.<br>
<br>
Dreyfus Postdoctoral Fellow<br>
Department of Chemistry<br>
Purdue University<br>
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<br>
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Tel:765-494-5225<br>
e-mail: <a href="mailto:igladich@purdue.edu">igladich@purdue.edu</a><br>
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<br>
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