<div dir="ltr"><div><br></div><a href="https://manual.cp2k.org/trunk/CP2K_INPUT.html" style="font-family: monospace; text-transform: uppercase;">CP2K_INPUT</a><span style="color: rgb(0, 0, 0); font-family: monospace; text-transform: uppercase;"> / </span><a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL.html" style="font-family: monospace; text-transform: uppercase;">FORCE_EVAL</a><span style="color: rgb(0, 0, 0); font-family: monospace; text-transform: uppercase;"> / </span><a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/SUBSYS.html" style="font-family: monospace; text-transform: uppercase;">SUBSYS</a><span style="color: rgb(0, 0, 0); font-family: monospace; text-transform: uppercase;"> / </span><a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR.html" style="font-family: monospace; text-transform: uppercase;">COLVAR</a><span style="color: rgb(0, 0, 0); font-family: monospace; text-transform: uppercase;"> / </span><a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE.html" style="font-family: monospace; text-transform: uppercase;">DISTANCE</a><span style="color: rgb(0, 0, 0); font-family: monospace; text-transform: uppercase;"> / </span><a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE/POINT.html" style="font-family: monospace; text-transform: uppercase;">POINT</a><div><br><br>On Wednesday, February 1, 2017 at 12:27:20 PM UTC+1, cjor wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">Hi, thanks.<div><br></div><div> Where is the point feature in the DISTANCE colvar? I can't find this option.</div><div>I do NOT want a plane defined.</div><div><br></div><div><pre style="padding:0.7em 1em;font-family:Consolas,"Andale Mono WT","Andale Mono","Bitstream Vera Sans Mono","Nimbus Mono L",Monaco,"Courier New",monospace;font-size:14px;direction:ltr;background-color:rgb(251,250,249);color:rgb(51,51,51);border-radius:2px;overflow:auto;word-wrap:normal;border-width:1px;border-style:solid;border-color:rgb(204,204,204)">    &COLVAR
       &DISTANCE_POINT_PLANE
        &POINT
          TYPE GEO_CENTER
          ATOMS 1
        &END
        &POINT
          TYPE GEO_CENTER
          ATOMS 48
        &END
        &POINT
          TYPE GEO_CENTER
          ATOMS 60
        &END
        &POINT
          TYPE GEO_CENTER
          ATOMS  69 70
        &END
          ATOMS_PLANE 1 2 3 
          ATOM_POINT 4
       &END DISTANCE_POINT_PLANE</pre><br>On Tuesday, 31 January 2017 16:08:02 UTC, cjor  wrote:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Hello,<div><br></div><div>Is there a way to code a centre-of-mass point in CP2K.</div><div><br></div><div><br></div><div>I want to use a distance colvar, <i>not </i>a distance to a plane etc.</div><div><br></div><div><br></div><div>?</div><div><br></div><div><br></div></div></blockquote></div></div></blockquote></div></div>