<font color="#000000"><font><font face="verdana,sans-serif">Very thank you for your suggestion and being so kind. I will write a new detailed subject and explain my purpose.<br></font></font></font><br><div class="gmail_quote">
On Sat, Jun 2, 2012 at 10:23 AM, Christopher Neale <span dir="ltr"><<a href="mailto:chris.neale@mail.utoronto.ca" target="_blank">chris.neale@mail.utoronto.ca</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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<pre>No, the point is that the equilibrium surface area is near zero in the context of PBC and you need</pre>
<pre>special tricks to keep the system away from that equilibrium. </pre>
<pre>There will always be a force toward reducing the surface area of the</pre>
<pre>hydrophobic/hydrophilic interface. It is possible to disallow this force to cause system </pre>
<pre>relaxation by using an incompressible Cartesian z (or x and y), but as soon as you let that go</pre>
<pre>the system will then relax toward the tall and thin column of aliphatic chains.</pre>
<pre>Perhaps you should return to the list with a detailed description of what</pre>
<pre>you are trying to accomplish and you might get some help. I doubt that I can help that part,</pre>
<pre>but there is likely somebody out there who can. Also, you will increase your chances of </pre>
<pre>getting help from somebody like me (expert gromacs user who is totally ignorant of your</pre>
<pre>particular field of study) by giving proper explanations of thing like the </pre>
<pre>"interfacial tension of surfactant at oil/water interface". I know that it makes sense to you</pre>
<pre>(and probably lots of other people), but I for one don't know exactly what you are trying to</pre>
<pre>accomplish.</pre>
<pre><br></pre>
<pre>Chris.</pre>
<pre><br></pre>
<pre><br></pre>
<pre>-- original message --</pre>
<pre>Dear Chris:
Thank you for your help. Maybe I can try it as this. First set x and y
fixed by setting compressibility = 0 4.5e-0.5 until the system
reaching equilibrium and then release. If it sounds reasonable. I am
trying to do it.
Dear Hugh:</pre>
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