<br><br><div class="gmail_quote">On Fri, Dec 24, 2010 at 5:36 AM, 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;">
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On 24/12/2010 5:17 AM, MyLinkka wrote:
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<h3>Does anybody know if it is possible to optimize
the box size during an energy minimization in Gromacs? </h3>
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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><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
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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>
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