<html>
<head>
<style><!--
.hmmessage P
{
margin:0px;
padding:0px
}
body.hmmessage
{
font-size: 10pt;
font-family:微软雅黑
}
--></style>
</head>
<body class='hmmessage'>
Hello users,<br>I<span id="result_box" lang="en"><span title="点击可显示其他翻译" class="hps"> followed the</span> <span title="点击可显示其他翻译" class="hps">tutorial</span> <span title="点击可显示其他翻译" class="hps">steps to do</span></span> umbrella sampling of GROMACS Tutorial, (<span id="result_box" class="short_text" lang="en"><span title="点击可显示其他翻译" class="hps">This is the</span> <span title="点击可显示其他翻译" class="hps">tutorial</span> <span title="点击可显示其他翻译" class="hps">site </span></span><a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/umbrella/index.html">http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/umbrella/index.html</a>) and get the
PMF is close to -50 kcal/mol. However, when I put amber99sb parameter
instead of gromos96 53a6 parameter, <span id="result_box" lang="en"><span title="点击可显示其他翻译" class="hps">without changing the</span> <span title="点击可显示其他翻译" class="hps">other parameters and steps，</span></span>the result is about -35 kcal/mol. I
don't know why the<span id="result_box" lang="en"><span title="点击可显示其他翻译" class="hps"> difference</span></span> is so large between them, and i need your help for <span id="result_box" lang="en"><span title="点击可显示其他翻译" class="hps">explaining</span> <span title="点击可显示其他翻译" class="hps">what is the reason</span> <span title="点击可显示其他翻译" class="hps">for the difference</span><span title="点击可显示其他翻译">, simply</span> <span title="点击可显示其他翻译" class="hps">because I</span> <span title="点击可显示其他翻译" class="hps">changed</span> <span title="点击可显示其他翻译" class="hps">the </span><span title="点击可显示其他翻译" class="hps">force filed,</span> <span title="点击可显示其他翻译" class="hps">or some other</span> <span title="点击可显示其他翻译" class="hps">possible causes</span></span>.<br> <br><br>thanks, <br> <br>guoman </body>
</html>