<html xmlns:v="urn:schemas-microsoft-com:vml" 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="chsdate"/>
<!--[if !mso]>
<style>
st1\:*{behavior:url(#default#ieooui) }
</style>
<![endif]-->
<style>
<!--
/* Font Definitions */
@font-face
        {font-family:SimSun;
        panose-1:2 1 6 0 3 1 1 1 1 1;}
@font-face
        {font-family:SimSun;
        panose-1:2 1 6 0 3 1 1 1 1 1;}
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
        {margin:0cm;
        margin-bottom:.0001pt;
        text-align:justify;
        text-justify:inter-ideograph;
        font-size:10.5pt;
        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;
        font-family:Arial;
        color:windowtext;}
span.EmailStyle18
        {mso-style-type:personal-reply;
        font-family:Arial;
        color:navy;}
@page Section1
        {size:595.3pt 841.9pt;
        margin:72.0pt 90.0pt 72.0pt 90.0pt;
        layout-grid:15.6pt;}
div.Section1
        {page:Section1;}
-->
</style>
<!--[if gte mso 9]><xml>
<o:shapedefaults v:ext="edit" spidmax="1026" />
</xml><![endif]--><!--[if gte mso 9]><xml>
<o:shapelayout v:ext="edit">
<o:idmap v:ext="edit" data="1" />
</o:shapelayout></xml><![endif]-->
</head>
<body lang=ZH-CN link=blue vlink=purple style='text-justify-trim:punctuation'>
<div class=Section1 style='layout-grid:15.6pt'>
<p class=MsoNormal><font size=1 face=Arial><span lang=EN-US style='font-size:
9.0pt;font-family:Arial'>Dear all,<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face=Arial><span lang=EN-US style='font-size:
9.0pt;font-family:Arial'>Is it possible to add connectivity information in the
trajectory file? I’m dealing with CG MD using Martini FF.
After the production run, I checked my trajectory by loading the full.gro and
full.trr in VMD. However, I could see nothing but a stack of CG beads moving
around. No bonds there. <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face=Arial><span lang=EN-US style='font-size:
9.0pt;font-family:Arial'>It was mentioned that (maybe in the revision history,
I couldn’t find it any more as gromacs is moving to a new site) Gromacs <st1:chsdate
IsROCDate="False" IsLunarDate="False" Day="30" Month="12" Year="1899" w:st="on">4.0.5</st1:chsdate>
is able to add connectivity information in the trajectory file, which is very
helpful in CG simulation. I got one trajectory file in pdb format by
trying the following command:<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face=Arial><span lang=EN-US style='font-size:
9.0pt;font-family:Arial'>Trjconv –f full.trr –s full.tpr –n
index.ndx –o test.pdb<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face=Arial><span lang=EN-US style='font-size:
9.0pt;font-family:Arial'>I checked the test.pdb(with many frames) and found no
connectivity information. How could I add connectivity information in the
trajectory file? <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face=Arial><span lang=EN-US style='font-size:
9.0pt;font-family:Arial'>Any suggestions are greatly appreciated!<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face=Arial><span lang=EN-US style='font-size:
9.0pt;font-family:Arial'>Many thanks in advance!!<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face=Arial><span lang=EN-US style='font-size:
9.0pt;font-family:Arial'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=1 face=Arial><span lang=EN-US style='font-size:
9.0pt;font-family:Arial'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=1 face=Arial><span lang=EN-US style='font-size:
9.0pt;font-family:Arial'>Yours, <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face=Arial><span lang=EN-US style='font-size:
9.0pt;font-family:Arial'>Chuan Liao<o:p></o:p></span></font></p>
</div>
</body>
</html>