<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
<html>
<head>
<meta content="text/html; charset=ISO-8859-1"
http-equiv="Content-Type">
</head>
<body text="#000000" bgcolor="#ffffff">
On 29/12/2010 11:06 PM, mina Madah wrote:
<blockquote cite="mid:612232.99404.qm@web114205.mail.gq1.yahoo.com"
type="cite">
<table border="0" cellpadding="0" cellspacing="0">
<tbody>
<tr>
<td style="font: inherit;" valign="top">dear all user<br>
<pre>How can I have a force field for simulation of boron-nitride-carbon (BCN) graphene?
all force field in gromacs don't have boron as an atomtype .</pre>
</td>
</tr>
</tbody>
</table>
</blockquote>
<br>
That's because those forcefields are primarily aimed at biochemistry
simulations. You need a forcefield that was parameterized to
reproduce values relevant to your simulation system. There may not
be any in your case. Search the literature. Do not consider
parameterizing this yourself before you have considerable MD
experience.<br>
<br>
Mark<br>
<br>
</body>
</html>