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Yeah! Energy minimization with pressure coupling.<br>
Is this possible? <br>
<br>
Ting<br>
<br>
<br>
On 12/24/2010 5:04 AM, Terry wrote:
<blockquote
cite="mid:AANLkTinyGM5ZP8vy78EavQMZ46USriP-Q6kJKx5t89xS@mail.gmail.com"
type="cite"><br>
<br>
<div class="gmail_quote">On Fri, Dec 24, 2010 at 5:36 AM, Mark
Abraham <span dir="ltr"><<a moz-do-not-send="true"
href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>></span>
wrote:<br>
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<div class="im"> On 24/12/2010 5:17 AM, MyLinkka wrote:
<blockquote type="cite">
<h3>Does anybody know if it is possible to optimize the
box size during an energy minimization in Gromacs? </h3>
</blockquote>
<br>
</div>
Optimize for what criterion?
<div class="im"><br>
<br>
<blockquote type="cite"> Can I make pressure coupling if
it's possible?<br>
</blockquote>
</div>
</div>
</blockquote>
<div><br>
</div>
<div>Do you mean energy minimization with pressure coupling?</div>
<div><br>
</div>
<div>Terry</div>
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<div class="im">
<blockquote type="cite"> </blockquote>
<br>
</div>
Sure, that's in the manual and covered in tutorials.<br>
<font color="#888888"> <br>
Mark</font>
<div class="im"><br>
<br>
<blockquote type="cite"> Is there a workaround if there is
no direct way?<br>
<br>
Thanks!<br>
<br>
Ting<br>
</blockquote>
<br>
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<br>
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