<br><br><div class="gmail_quote">On Thu, Dec 23, 2010 at 2:41 PM, mustafa bilsel <span dir="ltr"><<a href="mailto:mfbilsel@gmail.com">mfbilsel@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
Hi,<br><br>1. How can I learn the box shape and size of a completed simulation?<br></blockquote><div><br>check the end of the resulting gro file .<br> <br></div><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
2. I want to keep going the previous completed energy minimization by increasing nsteps. How can I do this?<br></blockquote><div><br>increase in nsteps, and may be the tolerance too.<br> </div><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<br>Best wishes<br><font color="#888888">Mustafa<br>
<br>
</font><br>--<br>
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