<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
<html>
<head>
<meta content="text/html; charset=ISO-8859-1"
http-equiv="Content-Type">
<title></title>
</head>
<body text="#000000" bgcolor="#ffffff">
On 3/05/2011 7:13 PM, Geethu Issac wrote:
<blockquote
cite="mid:BANLkTikua9kb=6uY6rwGfi_EC5A0bFJJDQ@mail.gmail.com"
type="cite"><span style="font-family: arial,sans-serif; font-size:
13px; border-collapse: collapse;">Hello Users,<br>
<br>
I
am a final year project student.I am doing simulation of
gangliosdie
gm1 using gromacs 4.5.4. I am encountering an error in the
energy
minimisation step(grompp -f ions.mdp -c gm1_solv.gro -p gm12.top
-o
ions.tpr) saying<br>
<br>
<b><br>
-------------------------------------------------------<br>
Program grompp, VERSION 4.5.4<br>
Source code file: topio.c, line: 653<br>
<br>
Fatal error:<br>
Syntax error - File ffgmxnb.itp, line 1<br>
Last line read:<br>
'[ atomtypes ]'<br>
Invalid order for directive atomtypes<br>
For more information and tips for troubleshooting, please
check the GROMACS<br>
website at <a moz-do-not-send="true"
href="http://www.gromacs.org/Documentation/Errors"
style="color: rgb(0, 101, 204);" target="_blank">http://www.gromacs.org/Documentation/Errors</a><br>
-------------------------------------------------------<br>
</b><br>
The
pdb file i have downloaded from 3DSDSCAR. I tried several times
with
the same but am encountering the same error.Can anyone please
give me
some guidelines or solution for the same.<br>
</span></blockquote>
<br>
Did you follow that link and see what it has to say about this
frequently-occurring problem?<br>
<br>
Mark<br>
</body>
</html>