<html xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns="http://www.w3.org/TR/REC-html40">

<head>
<META HTTP-EQUIV="Content-Type" CONTENT="text/html; charset=iso-8859-1">


<meta name=ProgId content=Word.Document>
<meta name=Generator content="Microsoft Word 10">
<meta name=Originator content="Microsoft Word 10">
<link rel=File-List href="cid:filelist.xml@01C32B67.36C3E6E0">
<!--[if gte mso 9]><xml>
 <o:OfficeDocumentSettings>
  <o:DoNotRelyOnCSS/>
 </o:OfficeDocumentSettings>
</xml><![endif]--><!--[if gte mso 9]><xml>
 <w:WordDocument>
  <w:SpellingState>Clean</w:SpellingState>
  <w:GrammarState>Clean</w:GrammarState>
  <w:DocumentKind>DocumentEmail</w:DocumentKind>
  <w:EnvelopeVis/>
  <w:BrowserLevel>MicrosoftInternetExplorer4</w:BrowserLevel>
 </w:WordDocument>
</xml><![endif]-->
<style>
<!--
 /* Style Definitions */
 p.MsoNormal, li.MsoNormal, div.MsoNormal
        {mso-style-parent:"";
        margin:0cm;
        margin-bottom:.0001pt;
        mso-pagination:widow-orphan;
        font-size:12.0pt;
        font-family:"Times New Roman";
        mso-fareast-font-family:"Times New Roman";
        mso-ansi-language:EN-US;
        mso-fareast-language:EN-US;}
a:link, span.MsoHyperlink
        {color:blue;
        text-decoration:underline;
        text-underline:single;}
a:visited, span.MsoHyperlinkFollowed
        {color:purple;
        text-decoration:underline;
        text-underline:single;}
span.EstiloDeEmail17
        {mso-style-type:personal-compose;
        mso-style-noshow:yes;
        mso-ansi-font-size:10.0pt;
        mso-bidi-font-size:10.0pt;
        font-family:Arial;
        mso-ascii-font-family:Arial;
        mso-hansi-font-family:Arial;
        mso-bidi-font-family:Arial;
        color:windowtext;}
span.SpellE
        {mso-style-name:"";
        mso-spl-e:yes;}
span.GramE
        {mso-style-name:"";
        mso-gram-e:yes;}
@page Section1
        {size:612.0pt 792.0pt;
        margin:70.85pt 3.0cm 70.85pt 3.0cm;
        mso-header-margin:35.4pt;
        mso-footer-margin:35.4pt;
        mso-paper-source:0;}
div.Section1
        {page:Section1;}
-->
</style>
<!--[if gte mso 10]>
<style>
 /* Style Definitions */ 
 table.MsoNormalTable
        {mso-style-name:"Tabela normal";
        mso-tstyle-rowband-size:0;
        mso-tstyle-colband-size:0;
        mso-style-noshow:yes;
        mso-style-parent:"";
        mso-padding-alt:0cm 5.4pt 0cm 5.4pt;
        mso-para-margin:0cm;
        mso-para-margin-bottom:.0001pt;
        mso-pagination:widow-orphan;
        font-size:10.0pt;
        font-family:"Times New Roman";}
</style>
<![endif]-->
</head>

<body lang=PT-BR link=blue vlink=purple style='tab-interval:36.0pt'>

<div class=Section1>

<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial;mso-ansi-language:PT-BR'><span style='mso-tab-count:1'>            </span><span
class=SpellE>Hi</span> <span class=SpellE>folks</span>,<o:p></o:p></span></font></p>

<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial;mso-ansi-language:PT-BR'><span style='mso-tab-count:1'>            </span></span></font><font
size=2 face=Arial><span lang=EN-US style='font-size:10.0pt;font-family:Arial'>Is
it possible to perform a <span class=SpellE>em</span> of a drug alone (do not
docked into a <span class=GramE>protein ???</span>) in <span class=SpellE>gromacs</span>
?? I have been trying <span class=GramE>but <span
style='mso-spacerun:yes'> </span><span class=SpellE>grompp</span></span> do not
recognize the .top file I generated in the PRODRG server. Is there any other
way of generating the .top file of my <span class=GramE>DRG ??????</span><o:p></o:p></span></font></p>

<p class=MsoNormal><font size=2 face=Arial><span lang=EN-US style='font-size:
10.0pt;font-family:Arial'><span style='mso-tab-count:1'>            </span>Thanks
a lot in advance.<o:p></o:p></span></font></p>

<p class=MsoNormal><font size=2 face=Arial><span lang=EN-US style='font-size:
10.0pt;font-family:Arial'><span style='mso-tab-count:1'>            </span><span
class=SpellE>Tanos</span> C. C. Franca.<o:p></o:p></span></font></p>

</div>

</body>

</html>
<BR>

<P><FONT SIZE=2>---<BR>
Outgoing mail is certified Virus Free.<BR>
Checked by AVG anti-virus system (http://www.grisoft.com).<BR>
Version: 6.0.483 / Virus Database: 279 - Release Date: 19/05/2003<BR>
</FONT> </P>