[CP2K-user] [CP2K:16189] two CVs for meta
Sayyed Jalil Mahdizadeh
saja.mahdizadeh at gmail.com
Thu Nov 4 19:40:52 UTC 2021
Hi all.
Is it a correct setting to define two CVs?
&COLVAR
&DISTANCE_FUNCTION
COEFFICIENT -1
ATOMS 4572 4573 4573 4576
&END DISTANCE_FUNCTION
&DISTANCE
ATOMS 4572 4575
&END DISTANCE
&END COLVAR
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