<!DOCTYPE html PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
<html>
<head>
<meta content="text/html;charset=ISO-8859-1" http-equiv="Content-Type">
</head>
<body bgcolor="#ffffff" text="#000000">
Hi,<br>
<br>
The concentration of pure water is 55.6M. So, 1 ion with a single
charge per 556 molecules of water equals 0.1M. <br>
<br>
Ran.<br>
<br>
Mark Abraham wrote:
<blockquote
cite="mid4462.150.203.159.203.1174013869.squirrel@sqmail.anu.edu.au"
type="cite">
<blockquote type="cite">
<pre wrap="">Dear users:
My protein is large,so I use genbox -shell 1.2 to add water,
Then I genion -conc 0.15 -neutral, At last,In .top file I find 7703 water,
but there are 183 Na+,170 cl-,I want to know whether ions is too more.
Is this normal?
Could somebody tell me?
</pre>
</blockquote>
<pre wrap=""><!---->
How about finding your simulation volume and doing some high-school
arithmetic to check the concentrations are what you wanted?
Mark
_______________________________________________
gmx-users mailing list <a class="moz-txt-link-abbreviated" href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a>
<a class="moz-txt-link-freetext" href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users</a>
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to <a class="moz-txt-link-abbreviated" href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>.
Can't post? Read <a class="moz-txt-link-freetext" href="http://www.gromacs.org/mailing_lists/users.php">http://www.gromacs.org/mailing_lists/users.php</a>
</pre>
</blockquote>
<br>
<br>
<pre class="moz-signature" cols="72">--
------------------------------------------------------
Ran Friedman
Postdoctoral Fellow
Computational Structural Biology Group (A. Caflisch)
Department of Biochemistry
University of Zurich
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
Tel. +41-44-6355593
Email: <a class="moz-txt-link-abbreviated" href="mailto:r.friedman@bioc.unizh.ch">r.friedman@bioc.unizh.ch</a>
Skype: ran.friedman
------------------------------------------------------
</pre>
</body>
</html>