<html>
<head>
<meta content="text/html; charset=ISO-8859-1"
http-equiv="Content-Type">
</head>
<body bgcolor="#FFFFFF" text="#000000">
On 17/02/2012 8:38 PM, Bipan Dutta wrote:
<blockquote
cite="mid:1329471519.77203.YahooMailNeo@web113611.mail.gq1.yahoo.com"
type="cite">
<div style="color:#000; background-color:#fff; font-family:times
new roman, new york, times, serif;font-size:14pt">
<div>I want to do Classical molecular Dynamics stimulation with
1 isobutyl cyanide and 100 water molecule. I cant create input
file. Please help me to create the input file. <br>
</div>
</div>
</blockquote>
<br>
You should start by doing and understanding all the tutorial
material you can find via Google and the GROMACS website - even if
it doesn't look all that relevant. This will help you understand
what is required to do these simulations. Then please ask a focussed
question :-)<br>
<br>
Mark<br>
</body>
</html>