Hi Mark,<br><br>I just want <span onclick="dr4sdgryt(event)">make use of</span> the volumes of the spheres to enlarge the pocket without the use of any ligands.<br>Thanks in advance!<br><br>Chiara<span onclick="dr4sdgryt(event)"></span><br>
<br><div class="gmail_quote">On Feb 19, 2008 1:12 AM, Mark Abraham <<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div class="Ih2E3d">Chiara Parravicini wrote:<br>> Hi gromacs users,<br>><br>> I would like to add LJ spheres into the protein cavitities, but I don't<br>> know how to define input parameters and files to set the run. Should I<br>
> define spheres as "dummy atoms"? Any suggestion will be greatly appreciated!<br><br></div>How do you want these spheres to interact with the system?<br><br>Mark<br>_______________________________________________<br>
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