<html xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:st1="urn:schemas-microsoft-com:office:smarttags" xmlns="http://www.w3.org/TR/REC-html40">
<head>
<META HTTP-EQUIV="Content-Type" CONTENT="text/html; charset=us-ascii">
<meta name=Generator content="Microsoft Word 11 (filtered medium)">
<o:SmartTagType namespaceuri="urn:schemas-microsoft-com:office:smarttags"
name="PersonName"/>
<!--[if !mso]>
<style>
st1\:*{behavior:url(#default#ieooui) }
</style>
<![endif]-->
<style>
<!--
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
{margin:0in;
margin-bottom:.0001pt;
text-align:right;
direction:rtl;
unicode-bidi:embed;
font-size:12.0pt;
font-family:"Times New Roman";}
a:link, span.MsoHyperlink
{color:blue;
text-decoration:underline;}
a:visited, span.MsoHyperlinkFollowed
{color:purple;
text-decoration:underline;}
span.EmailStyle17
{mso-style-type:personal-compose;
font-family:Arial;
color:windowtext;}
@page Section1
{size:595.3pt 841.9pt;
margin:1.0in 1.25in 1.0in 1.25in;}
div.Section1
{page:Section1;}
-->
</style>
</head>
<body lang=EN-US link=blue vlink=purple>
<div class=Section1 dir=RTL>
<p class=MsoNormal dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=2 face=Arial><span style='font-size:10.0pt;font-family:Arial'>Dear
Gromacs users,<o:p></o:p></span></font></p>
<p class=MsoNormal dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=2 face=Arial><span style='font-size:10.0pt;font-family:Arial'>After
performing MD simulations I want to calculate bond energy for the disulfide
bond present in the simulated structure. I didn't find the option for doing
this under g_energy command. Does any one know how to do this type of analysis?<o:p></o:p></span></font></p>
<p class=MsoNormal dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=2 face=Arial><span style='font-size:10.0pt;font-family:Arial'>Any
help will be useful!<o:p></o:p></span></font></p>
<p class=MsoNormal dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=2 face=Arial><span style='font-size:10.0pt;font-family:Arial'><o:p> </o:p></span></font></p>
<p class=MsoNormal dir=RTL><font size=2 face=Arial><span dir=LTR
style='font-size:10.0pt;font-family:Arial'><o:p> </o:p></span></font></p>
<div>
<p class=MsoNormal dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><st1:PersonName w:st="on"><font size=3 color=navy face="Times New Roman"><span
style='font-size:12.0pt;color:navy'>Yulia Einav</span></font></st1:PersonName><font
color=navy><span style='color:navy'> Ph.D. </span></font><o:p></o:p></p>
<div>
<p class=MsoNormal dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face="Times New Roman"><span style='font-size:12.0pt'> <o:p></o:p></span></font></p>
</div>
<div>
<p class=MsoNormal dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 color=navy face="Times New Roman"><span style='font-size:
12.0pt;color:navy'>Mathematical Biology Unit</span></font><o:p></o:p></p>
</div>
<div>
<p class=MsoNormal dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 color=navy face="Times New Roman"><span style='font-size:
12.0pt;color:navy'>Department of Applied Mathematics</span></font><o:p></o:p></p>
</div>
<div>
<p class=MsoNormal dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 color=navy face="Times New Roman"><span style='font-size:
12.0pt;color:navy'>Faculty of Sciences, H.I.T. </span></font><o:p></o:p></p>
</div>
<div>
<p class=MsoNormal dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 color=navy face="Times New Roman"><span lang=DE
style='font-size:12.0pt;color:navy'>52 Golomb Str. POB 305, Holon 58102,
Israel.</span></font><o:p></o:p></p>
</div>
<div>
<p class=MsoNormal dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 color=navy face="Times New Roman"><span lang=DE
style='font-size:12.0pt;color:navy'>Tel. 972-3-5026769, Fax. 972-3-5026769. </span></font><o:p></o:p></p>
</div>
<div>
<p class=MsoNormal dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 color=navy face="Times New Roman"><span style='font-size:
12.0pt;color:navy'>E-mail: yulia_e@hit.ac.il, Web: <a
href="http://www.hit.ac.il/" title="http://www.hit.ac.il/">http://www.hit.ac.il</a></span></font><o:p></o:p></p>
</div>
</div>
<p class=MsoNormal dir=RTL><font size=3 face="Times New Roman"><span dir=LTR
style='font-size:12.0pt'><o:p> </o:p></span></font></p>
</div>
</body>
</html>