<html>
<head>
<style><!--
.hmmessage P
{
margin:0px;
padding:0px
}
body.hmmessage
{
font-size: 10pt;
font-family:Tahoma
}
--></style>
</head>
<body class='hmmessage'><div dir='ltr'>
<font style="font-size: 12pt;" size="3">Hi, </font><font style="font-size: 12pt;" size="3"><br></font><font style="font-size: 12pt;" size="3"><br></font><font style="font-size: 12pt;" size="3">I have been making some tests reducting the </font><font style="font-size: 12pt;" size="3">time step for the integration with md in the grompp.mdp file and observed that obtained results differ when the time step is 0.0001 from those obtained for time steps 0.0005 and 0.001</font><font style="font-size: 12pt;" size="3">.</font><font style="font-size: 12pt;" size="3"><br></font><font style="font-size: 12pt;" size="3">Do you have any idea of which can be the problem?</font><br><font style="font-size: 12pt;" size="3">Thanks,</font><font style="font-size: 12pt;" size="3"><br></font><font style="font-size: 12pt;" size="3"><br></font><font style="font-size: 12pt;" size="3">Paula Longinotti</font><br> </div></body>
</html>