<HTML><BODY style="word-wrap: break-word; -khtml-nbsp-mode: space; -khtml-line-break: after-white-space; ">You need to specify COMMENSURATE in MGRID section..<DIV><BR class="khtml-block-placeholder"></DIV><DIV>I will put a check that will stop with an error in case someone forgets this keyword for QMMM runs..</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Teo</DIV><DIV><DIV><DIV>On 21 Sep 2007, at 18:00, Luca wrote:</DIV><BR class="Apple-interchange-newline"><BLOCKQUOTE type="cite"><P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica"><SPAN class="Apple-converted-space"> </SPAN>&MGRID</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica"><SPAN class="Apple-converted-space"> </SPAN>CUTOFF 140</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica"><SPAN class="Apple-converted-space"> </SPAN>&END MGRID</FONT></P> </BLOCKQUOTE></DIV><BR></DIV></BODY></HTML>