[CP2K-user] COLVAR DISTANCE Setting

[Mengzi Zhou]

Dear CP2K users,

I intend to set the reaction coordinate to be the distance between ATOM 
index 29 and the geometrical center of ATOM index 3 6 9 12.
Is the syntax in the following way?

         &COLVAR
             &DISTANCE
                ATOMS 1 2
                &POINT
                     TYPE GEO_CENTER
                    ATOMS 29
                &END POINT
               &POINT
                    TYPE GEO_CENTER
                    ATOMS 3 6 9 12
               &END POINT
            &END DISTANCE
        &END COLVAR

Best,
Mengzi 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200814/17acfb81/attachment.htm>