<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><div><div>On 14 Oct 2008, at 18:33, ilya 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">slightly different positions then? By the way comment to the</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">CP2K_INPUT / MOTION / CONSTRAINT / FIXED_ATOMS / RESTRAINT / K <span class="Apple-converted-space"> </span>field</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">makes a reference to the TARGET: "The functional form for the</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">restraint is: K*(X-TARGET)^2".</font></p> </blockquote></div><br></div><div>This info in the manual has been clarified as well.. (in the CVS in few minutes)<div>Thanks</div><div>Teo</div><div><br class="webkit-block-placeholder"></div></div></body></html>