Thanks Bogdan, defining each atom as a charge group solves the grompp issue. Also here the atoms interact via non-bonded potentials. I think its a better way to simulate the line charge.<br><br><div>Amit</div><div><br><div class="gmail_quote">
On Sat, Aug 13, 2011 at 8:29 AM, Bogdan Costescu <span dir="ltr"><<a href="mailto:bcostescu@gmail.com">bcostescu@gmail.com</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">On Sat, Aug 13, 2011 at 05:43, Amit Choubey <<a href="mailto:kgp.amit@gmail.com">kgp.amit@gmail.com</a>> wrote:<br>
> The largest charge group contains 267 atoms. The maximum is 32.<br>
<br>
</div>Column 6 in the [atoms] section of the .top file defines the charge<br>
group. If you want each atom to be in its own charge group, you can<br>
set this to the same number as the atom number (column 1).<br>
<br>
Cheers,<br>
<font color="#888888">Bogdan<br>
</font><div><div></div><div class="h5">--<br>
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