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On 24/12/2010 5:17 AM, MyLinkka wrote:
<blockquote cite="mid:4D139220.5020803@gmail.com" type="cite">
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<h3 class="groups">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?<br>
<br>
<blockquote cite="mid:4D139220.5020803@gmail.com" type="cite"> Can I
make pressure coupling if it's possible?<br>
</blockquote>
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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>
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