<html>
<head>
<style><!--
.hmmessage P
{
margin:0px;
padding:0px
}
body.hmmessage
{
font-size: 10pt;
font-family:Verdana
}
--></style>
</head>
<body class='hmmessage'>
I saw it. Thanks.<br>Lanyuan<br><br>> Date: Wed, 14 Oct 2009 14:50:02 +1100<br>> From: Mark.Abraham@anu.edu.au<br>> To: gmx-users@gromacs.org<br>> Subject: Re: [gmx-users] interpolation for tabulated potential<br>> <br>> LuLanyuan wrote:<br>> > Hello,<br>> > I'm just wondering what interpolation method is used for the tabulated <br>> > potential function in GMX. Since GMX 4, the input table contains <br>> > potential and force, unlike potential and second derivative in GMX 3. Is <br>> > cubic spline still used in GMX 4? If yes, what algorithm is implemented <br>> > to get second derivative needed for cubic spline?<br>> <br>> That's all in the manual. Please start there.<br>> <br>> Mark<br>> _______________________________________________<br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://lists.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.o
rg/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 />更多热辣资讯尽在新版MSN首页！ <a href='http://cn.msn.com/' target='_new'>立刻访问！</a></body>
</html>