<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
<html>
<head>
<meta content="text/html; charset=UTF-8" http-equiv="Content-Type">
</head>
<body text="#000000" bgcolor="#ffffff">
On 4/21/2011 8:05 PM, Preeti Gupta wrote:
<blockquote cite="mid:636176.40974.qm@web94901.mail.in2.yahoo.com"
type="cite">
<style type="text/css"><!-- DIV {margin:0px;} --></style>
<div style="font-family: times new roman,new york,times,serif;
font-size: 12pt; color: rgb(0, 0, 0);">
<div>Hi All,<br>
<br>
I am new user of gromacs and i want to simulate cholesterol +
DOPC as my final year project.<br>
firstly i tried gromacs with cholesterol, for which i have
downloaded cholesterol pdb and itp file from gromacs site by <span
id="" class="deki-file-description desctext">Monika Hoeltje.
<br>
i m getting the following error- Residue 'CHOL' not found in
residue topology database.<br>
</span></div>
</div>
</blockquote>
<br>
... which you need if only if you want to use pdb2gmx on a structure
file.<br>
<br>
<blockquote cite="mid:636176.40974.qm@web94901.mail.in2.yahoo.com"
type="cite">
<div style="font-family: times new roman,new york,times,serif;
font-size: 12pt; color: rgb(0, 0, 0);">
<div><span id="" class="deki-file-description desctext">I tried
PRODRG for generating cholesterol topology file and
coordinate file, but still i got the error-<br>
invalid directive of atomtype.<br>
</span></div>
</div>
</blockquote>
<br>
So you've got some file format wrong...<br>
<br>
<blockquote cite="mid:636176.40974.qm@web94901.mail.in2.yahoo.com"
type="cite">
<div style="font-family: times new roman,new york,times,serif;
font-size: 12pt; color: rgb(0, 0, 0);">
<div><span id="" class="deki-file-description desctext">can
someone give me charmm residue topology file for cholesterol
or with some solution.<br>
</span></div>
</div>
</blockquote>
<br>
I think you will profit from doing some tutorial material and
looking at the examples in chapter 5 of the manual.<br>
<br>
Mark<br>
</body>
</html>