<br><br><div class="gmail_quote">On Wed, Feb 23, 2011 at 5:25 PM, 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>
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sakthi kumaran wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear all,<br>
Hi I am new to gromacs. I want to calculate the Van der waals interaction between two capped CNT facing each other using the pairwise LJ potential.I haven't used gromacs already. Any know-how/procedures to do the requiste would be very helpful.Whether Any tutorials are available for such a kind of thing...<br>
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</blockquote>
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Running a simulation while setting proper energygrps to decompose short-range nonbonded interactions sounds to be what you need to do.<br>
<br>
-Justin<div class="im"><br>
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<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Thank you in advance guys<br>
<br>
</blockquote>
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-- <br>
========================================<br>
<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> | (540) 231-9080<br>
<a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin</a><br>
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</font></blockquote></div><div><br></div><u>sorry I am not getting that. Please explain</u>