<html>
<head>
<style>
.hmmessage P
{
margin:0px;
padding:0px
}
body.hmmessage
{
font-size: 10pt;
font-family:Verdana
}
</style>
</head>
<body class='hmmessage'>
Hi,<br><br>This looks like a bug reported before in version 4.0.<br>It has been fixed in 4.0.2, download that version.<br><br>Berk<br><br>> Date: Wed, 10 Dec 2008 09:27:27 +1100<br>> From: Mark.Abraham@anu.edu.au<br>> To: gmx-users@gromacs.org<br>> Subject: Re: [gmx-users] fatal error during running grompp<br>> <br>> arie wibowo wrote:<br>> > Dear all, <br>> > <br>> > I am a beginner using gromacs. when I start to run gromacs, the calculation always stop in grompp due to fatal error was appeared. the information below the fatal error is "number of coordinates in coordinate file (minimized_water.gro, 26791) does not match topology file (aki.top, 1555)". but when I try to look aki.top file, there are already 1 molecules of protein, 78 molecules of SOL and 8412 molecules of SOL in the end of this file, so I think topology file must contain more than 1555 atom. I have already change .mdp file manually using gedit because I see in internet this error can also occur because .mdp file has been edited under Windows, but the problem still occur. is there any help or suggestion?<br>> <br>> You've probably got something wrong with your .top file format, but we <br>> can't guess what. Have a read of the relevant bits of chapter 5, <br>> including the examples there.<br>> <br>> Mark<br>> _______________________________________________<br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://www.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.org/search before posting!<br>> Please don't post (un)subscribe requests to the list. Use the <br>> www interface or send it to gmx-users-request@gromacs.org.<br>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php<br><br /><hr />Express yourself instantly with MSN Messenger! <a href='http://clk.atdmt.com/AVE/go/onm00200471ave/direct/01/' target='_new'>MSN Messenger</a></body>
</html>