Dear Mark<br><br>I have already checked both sections but I don't understand.. That's why I am asking for help :-)<br><br><div class="gmail_quote">On Wed, Apr 11, 2012 at 12:18 PM, 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"><div class="HOEnZb"><div class="h5"><div><span>On 11/04/12, <b>Chrisostomos Batistakis </b><<a href="mailto:tomyvanbatis@gmail.com" target="_blank">tomyvanbatis@gmail.com</a>> wrote:</span></div>
<blockquote style="BORDER-LEFT:#00f 1px solid;PADDING-LEFT:13px;MARGIN-LEFT:0px" type="cite">
<div>Dear all<br><br>I am looking in the manual but I don't understand...<br><br>When using <b>vdw-type =cut-off</b> in the .mdp file, is the LJ potential only truncated in the cut-off distance r<font size="1">c</font>, or is it also shifted in order to avoid discontinuity when <font size="-0">r<font size="1">ij</font>=r<font size="1">c</font></font> ?<br>
<br>If no, how can I have a shifted and truncated LJ potential?</div></blockquote>
<div> </div></div></div><div>Please check out the manual. Sections 4.1 and 7.3.11 come to mind.</div><span class="HOEnZb"><font color="#888888"><div> </div><div>Mark </div>
</font></span><br>--<br>
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