<!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 4/06/2011 9:02 AM, simon sham wrote:
<blockquote cite="mid:757051.35203.qm@web36703.mail.mud.yahoo.com"
type="cite">
<table border="0" cellpadding="0" cellspacing="0">
<tbody>
<tr>
<td style="font: inherit;" valign="top">Hi,<br>
I have tried to use g_rotacf to get the rotational
autocorrelation plot for a n-h vector, and I have two
questions:<br>
1. My MD run is 20ns, but the rotacf.xvg shows only 10ns.
why?<br>
</td>
</tr>
</tbody>
</table>
</blockquote>
<br>
This can be normal for computed correlation functions. See chapter
5. (If you'd provided your command line, and information about how
often you'd saved data, then I wouldn't be wasting our time with
guesses...)<br>
<br>
Mark<br>
<br>
<blockquote cite="mid:757051.35203.qm@web36703.mail.mud.yahoo.com"
type="cite">
<table border="0" cellpadding="0" cellspacing="0">
<tbody>
<tr>
<td style="font: inherit;" valign="top">2. The plot is
bottom out at 500 ps and then go back up. What does it
mean physically?<br>
<br>
Thanks for your insight.<br>
<br>
Simon<br>
</td>
</tr>
</tbody>
</table>
</blockquote>
<br>
</body>
</html>