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>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?<br><br>Thanks in advance<br><br><br>