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<br><div><div>On 1 Dec 2007, at 00:32, luca wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><p style="margin: 0.0px 0.0px 0.0px 0.0px; min-height: 14.0px"><br></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">Hi teo,</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">Ok. I have only a clarification</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">I must have<span class="Apple-converted-space"> </span>the metadynamics trajectory and</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">after i run fes program..</font></p></blockquote>You need only have a restart file corresponding to a situation in which you think that </div><div>metadynamics explored enough the phase space (i.e. at the end of your metadynamics run)..</div><div><br class="webkit-block-placeholder"></div><div>Obviously you can inspect the fes also while the metadynamics runs using a corresponding restart file.</div><div><br class="webkit-block-placeholder"></div><div>Teo.</div><div><br><blockquote type="cite"> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">Is it all right?</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><br></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">thanks</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>Luca</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><br></p> </blockquote></div><br></body></html>