<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">thanks Mark and Tsjerk<br>i got it..!<br><br><br>--- On <b>Mon, 4/11/11, Tsjerk Wassenaar <i><tsjerkw@gmail.com></i></b> wrote:<br><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><br>From: Tsjerk Wassenaar <tsjerkw@gmail.com><br>Subject: Re: [gmx-users] orientational relaxation<br>To: "Discussion list for GROMACS users" <gmx-users@gromacs.org><br>Date: Monday, April 11, 2011, 10:54 PM<br><br><div id="yiv1355998803"><p>Hi Daniel,</p>
<p>If you want to fix the com position, specify the molecule as comm-grps. If you really don't want movement of the com, and use pressure coupling, first put the molecule at the origin.</p>
<p>Hope it helps,</p>
<p>Tsjerk</p>
<p></p><blockquote type="cite">On Apr 12, 2011 7:28 AM, "Mark Abraham" <<a rel="nofollow" ymailto="mailto:Mark.Abraham@anu.edu.au" target="_blank" href="/mc/compose?to=Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>> wrote:<br><br>
<div><p><font color="#500050">> yes , position restraints of molecules that only allow to orient.
</font></p>
What's your question? Most tutorials will use position restraints at
some stage. There's theory discussion in the manual.<br><font color="#888888">
<br>
Mark</font><p><font color="#500050">
>
> regards.
>
> --- On Mon, 4/11/11, Mark Abraham <<a rel="nofollow" ymailto="mailto:Mark.Abraham@anu.edu.au" target="_blank" href="/mc/compose?to=Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>> wrote:
>>
>>
>> From:...</font></p></div>
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