<html>
<head>
<style>
.hmmessage P
{
margin:0px;
padding:0px
}
body.hmmessage
{
FONT-SIZE: 10pt;
FONT-FAMILY:Tahoma
}
</style>
</head>
<body class='hmmessage'>
how can we do that?<BR><BR>> Date: Sun, 16 Dec 2007 19:55:30 +1100<BR>> From: Mark.Abraham@anu.edu.au<BR>> To: gmx-users@gromacs.org<BR>> Subject: Re: [gmx-users] coupling to water bath<BR>> <BR>> pragya chohan wrote:<BR>> > Dear Users<BR>> > I have a system in of protein with in bound chlorine ion. I also added <BR>> > Na ion to the system to neutralize charge on system. I have to couple <BR>> > the system to water bath. can i couple protein chlorine and Na together <BR>> > and solvent separately? or should i couple protein and chlorine together <BR>> > and solvent and na together?<BR>> <BR>> Don't use T-coupling groups that might have molecules isolated inside <BR>> regions filled by other T-coupling groups. That won't be numerically stable.<BR>> <BR>> > I the later case -n option would take in 2 index files. then what should <BR>> > I do?<BR>> <BR>> You can make both groups inside the one index file.<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 />Fly HYD-BLR for Rs.499 Log on to MakeMyTrip! <a href='http://ss1.richmedia.in/recurl.asp?pid=266' target='_new'>Check it out!</a></body>
</html>