These parameters define the strength and shape of the potential.<div>Just plot the function to figure out if it is what is needed for the system under study</div><div>Regarda</div><div>Marcella<br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Sunday, October 30, 2022 at 11:38:44 AM UTC+1 goyal.a...@gmail.com wrote:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><div>Dear Cp2k users</div><div>I'm trying to create a spherical external potential to restrict the excessive motion of molecules during  Meta Dynamics simulation. An example provided on Cp2k website  <a href="https://www.cp2k.org/exercises:2015_cecam_tutorial:mtd1" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://www.cp2k.org/exercises:2015_cecam_tutorial:mtd1&source=gmail&ust=1667220295973000&usg=AOvVaw3IrRIYyt4OyNXaZHHBaDum">https://www.cp2k.org/exercises:2015_cecam_tutorial:mtd1</a>  includes: <br></div><div><br></div><div><img alt="extpot.png" width="396px" height="273.078px" src="https://groups.google.com/group/cp2k/attach/4d3d1342891bf/extpot.png?part=0.1&view=1"></div><div><br></div><div>My query is : Why 0.000000000001 is multiplied to the potential in each direction and why each potential is raised to the power 4 . <br></div><div><br></div><div>Regards</div><div><br></div><div>Aditya<br></div><div><br></div></blockquote></div>

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