<font color="#000099">I am not referring to any drift of the whole system, but to the diffusion of the lipid bilayer only. Diffusion of molecules in water is to be expected given sufficient time. I wonder what is a reasonable restraint to keep the center of mass of the membrane at Z=0.0<br>
<br></font><span style="color:rgb(0,0,153)">-Jose</span><br><br><div class="gmail_quote">On Wed, Feb 22, 2012 at 9:04 PM, Mark Abraham <span dir="ltr"><<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div bgcolor="#FFFFFF" text="#000000"><div><div class="h5">
On 23/02/2012 10:26 AM, Jose Borreguero wrote:
<blockquote type="cite">
<div class="gmail_quote"><font color="#000099">Dear GROMACS users,<br>
<br>
While simulating a DLPC membrane, I noticed that it tends to
diffuse along the normal (Z-axis) component. Is there a
'standard' restrain that is used to prevent such diffusion?<br>
The first option I thought was to restrain the center of mass
of the whole membrane along the Z-axis, but I don't know what
is a reasonable value for the force constant.<br>
If anyone has any experience dealing with this kind of
problem, please do reply.</font><br>
</div>
</blockquote>
</div></div><font color="#000099"><br>
Diffusion of the center of mass of the whole system is something
that can be removed by an existing mechanism. See manual 7.3.3<span class="HOEnZb"><font color="#888888"><br>
<br>
Mark<br>
</font></span></font>
</div>
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