<!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 Mark,<br>
<br>
Forgive me asking a question that may be obvious for experienced GMX
users.<br>
I want to quickly verify a problem against some other software, so I
temporarily turn to Gromacs. <br>
It would be nice if you could point me out where to find the
relevant tutorial or manual chapter.<br>
I couldn't find the solution after a quick browsing the manual.<br>
I'm sorry that I do not intend to spend too much time on learning
Gromacs. <br>
Thank you for understanding!<br>
<br>
Ting<br>
<br>
On 12/23/2010 10:36 PM, Mark Abraham wrote:
<blockquote cite="mid:4D13C0F7.9060709@anu.edu.au" type="cite">
<meta content="text/html; charset=ISO-8859-1"
http-equiv="Content-Type">
On 24/12/2010 5:17 AM, MyLinkka wrote:
<blockquote cite="mid:4D139220.5020803@gmail.com" type="cite">
<meta http-equiv="content-type" content="text/html;
charset=ISO-8859-1">
<h3 class="groups">Does anybody know if it is possible to
optimize the box size during an energy minimization in
Gromacs? </h3>
</blockquote>
<br>
Optimize for what criterion?<br>
<br>
<blockquote cite="mid:4D139220.5020803@gmail.com" type="cite"> Can
I make pressure coupling if it's possible?<br>
</blockquote>
<br>
Sure, that's in the manual and covered in tutorials.<br>
<br>
Mark<br>
<br>
<blockquote cite="mid:4D139220.5020803@gmail.com" type="cite"> Is
there a workaround if there is no direct way?<br>
<br>
Thanks!<br>
<br>
Ting<br>
</blockquote>
<br>
</blockquote>
<br>
</body>
</html>