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Please do not send unsolicited email requesting private help. I am
forwarding this to the appropriate forum.<br>
<br>
On point, I think the examples and explanations given in various
manual sections deal with your case.<br>
<br>
Mark<br>
<br>
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<th valign="BASELINE" align="RIGHT" nowrap="nowrap">Subject: </th>
<td>energy groups in tabulated potentials</td>
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<th valign="BASELINE" align="RIGHT" nowrap="nowrap">Date: </th>
<td>Thu, 19 May 2011 14:52:16 +0530</td>
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<th valign="BASELINE" align="RIGHT" nowrap="nowrap">From: </th>
<td>sreelakshmi ramesh
<a class="moz-txt-link-rfc2396E" href="mailto:sree.lakshmi@research.iiit.ac.in"><sree.lakshmi@research.iiit.ac.in></a></td>
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<th valign="BASELINE" align="RIGHT" nowrap="nowrap">To: </th>
<td><a class="moz-txt-link-abbreviated" href="mailto:mark.abraham@anu.edu.au">mark.abraham@anu.edu.au</a></td>
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<br>
<br>
dear mark,<br>
I have the following mdp file for running the
tabulated potential.i created two tables one for Na Cl interaction
tabel_Na_Cl.xvg.and another table for sovent with na and cl
interaction called [table.xvg]( solvent is going to interact with
both and na and cl with the same potential).so i have a doubt in
writing the format in energygrps in mdp file.can you help me out.<br>
<br>
<br>
title = nacl<br>
cpp = /usr/bin/cpp ; the c preprocessor<br>
define= -DEFLEXIBLE<br>
integrator = md<br>
coulombtype = user<br>
energygrps = Na Cl Sol # help needed in this line<br>
energygrp_table = Na Cl # help needed in this lines as well<br>
vdwtype= user<br>
<br>
<br>
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