<html>
<head>
<meta content="text/html; charset=ISO-8859-1"
http-equiv="Content-Type">
</head>
<body bgcolor="#FFFFFF" text="#000000">
On 3/02/2012 3:17 AM, dina dusti wrote:
<blockquote
cite="mid:1328199437.25763.YahooMailNeo@web121306.mail.ne1.yahoo.com"
type="cite">
<div style="color:#000; background-color:#fff; font-family:times
new roman, new york, times, serif;font-size:12pt">
<div>Dear Prof</div>
<div><br>
</div>
<div>Thank you very much from your response.</div>
<div>She said me:<br>
</div>
<div>"In g_dist, when you select two groups for distance
calculation, it computes the distance between COM's of groups.
Now, what is expected for the distance between the micelle's
COM and the COM of (e.g.) head groups? Clearly, it's near zero
! So you should first calculate the distance for each group
separately and then average over all distances."</div>
<div><br>
</div>
<div>But I didn't understand what was her mean about "you should
first calculate the distance for each group separately and
then average over all distances.", because I did g_dist
between micelle and for example head group and then used
g_analyze for dist.xvg and I had the quantity near zero!!!</div>
<br>
</div>
</blockquote>
<br>
This can be done more efficiently with g_bond, treating each
head-to-tail distance as a "bond".<br>
<br>
Mark<br>
</body>
</html>