<br><br><div class="gmail_quote">2011/1/10 Camilo Andrés Jimenez Cruz <span dir="ltr"><<a href="mailto:camilo.jimenezc@gmail.com">camilo.jimenezc@gmail.com</a>></span><br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
Hi list!<div><br></div><div>it has been discussed in other posts the inconvenience of PBCing after rotating (see example: <a href="http://oldwww.gromacs.org/pipermail/gmx-developers/2009-November/003754.html" target="_blank">http://oldwww.gromacs.org/pipermail/gmx-developers/2009-November/003754.html</a>), I just want to know what is the state of this problem and if somebody has found a satisfying solution.</div>
<div><br>I also wonder if it has been considered the idea of doing PBC *at the same time* that the rotation is made, In my view, this would fix the problem. no?</div></blockquote><div>No. At the same time doesn't make sense. You need one reference frame to do PBC. And it can't be rotated. In most cases (I give one example in the mail you linked where this is not the case) you can do first PBC and than fit.</div>
<div><br></div><div>Roland</div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;"><div> </div></blockquote><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<div><br></div><div>Thanks!<br clear="all"><br>-- <br>
Camilo Andrés Jiménez Cruz<br><br>
</div>
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