<br><br><div class="gmail_quote">On Thu, Feb 2, 2012 at 7:07 AM, Justin A. Lemkul <span dir="ltr"><<a href="mailto:jalemkul@vt.edu">jalemkul@vt.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div class="im"><br>
<br>
Madhur Sachan wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hi,<br>
Can anyone tell me methods to generate gromacs compatible parameters for chitosan?<br>
<br>
</blockquote>
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You need to choose a force field for which you will do the parameterization, and then derive them in accordance with existing force field methodology. This procedure is not simple.<br>
<br>
<a href="http://www.gromacs.org/Documentation/How-tos/Parameterization" target="_blank">http://www.gromacs.org/<u></u>Documentation/How-tos/<u></u>Parameterization</a><br>
<br>
Putting the parameters in suitable format for use with Gromacs requires a thorough understanding of Chapter 5 of the manual.<br>
<br>
-Justin<br>
<br>
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<br>
Justin A. Lemkul<br>
Ph.D. Candidate<br>
ICTAS Doctoral Scholar<br>
MILES-IGERT Trainee<br>
Department of Biochemistry<br>
Virginia Tech<br>
Blacksburg, VA<br>
jalemkul[at]<a href="http://vt.edu" target="_blank">vt.edu</a> | <a href="tel:%28540%29%20231-9080" value="+15402319080" target="_blank">(540) 231-9080</a><br>
<a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.<u></u>vt.edu/Pages/Personal/justin</a><br>
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</font></span></blockquote></div>thanx again justin..<br><br>