<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>That is what I expected, as I wrote in my previous mail.<br>You conformations are probably fine.<br><br>Berk<br><br>> Date: Mon, 16 Mar 2009 17:13:43 +0100<br>> From: andreas.frank@ch.tum.de<br>> To: gmx-users@gromacs.org; Oliver.Demmer@ch.tum.de<br>> Subject: RE: [gmx-users] Wrong Shake Tolerance<br>> CC: <br>> <br>> Dear Berk,<br>> <br>> thank you very much for the quick reply. We have used regular <br>> reaction-field with cut-offs. The average temperature is not too low but <br>> 5K too high (compared with the adjustment of the temperature bath), but <br>> it read on the user-list that this behavior is common when using RF. We <br>> are only interested in structure refinement in a solvent box, so <br>> hopefully the results are ok?! At least, the peptide structures look <br>> like as we expected it.<br>> <br>> Bye,<br>> <br>> Andreas<br>> -- <br>> <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>