<div>Hi, Mark:</div>
<div>I put the energygrps = Methane1 Methane2 into mdp file. </div>
<div>grompp gives one warning: </div>
<div> </div>
<div>WARNING 1 [file conf.top, line 47]:<br> Can not exclude the lattice Coulomb energy between energy groups</div>
<div> </div>
<div>then grompp terminated. </div>
<div>Could you give me a hint about his problem? Thanks.</div>
<div>-Xianghong Qi<br><br></div>
<div class="gmail_quote">On Wed, Nov 19, 2008 at 3:54 AM, xianghong qi <span dir="ltr"><<a href="mailto:xianghong001@gmail.com">xianghong001@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
<div>Thanks, Mark. </div>
<div>-Xianghong Qi<font color="#888888"><br><br></font></div>
<div>
<div></div>
<div class="Wj3C7c">
<div class="gmail_quote">On Wed, Nov 19, 2008 at 3:46 AM, Mark Abraham <span dir="ltr"><<a href="mailto:Mark.Abraham@anu.edu.au" target="_blank">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: #ccc 1px solid">
<div>xianghong qi wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Hi, Mark:<br> for these two cases<br>energygrp_excl = Methane1 Methane2<br>and energygrp_excl = methane1 methane2<br>
I got same error: methane1(or Methane1 ) is not energy group.<br></blockquote><br></div>OK, so now that it's a group, you need it to be an energy group - see energygrps.
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