[CP2K-user] How to specify two distance constraints
Chunli Yan
utchu... at gmail.com
Sat Jan 23 05:56:05 UTC 2021
Hello,
I want to specify two distance constraints as below:
- &COLVAR
- &DISTANCE
- ATOMS 3242 2031 #distance 1
- &END DISTANCE
- &END COLVAR
-
- &COLVAR
- &DISTANCE
- ATOMS 2095 3484 #distance 2
- &END DISTANCE
- &END COLVAR
&CONSTRAINT
&COLLECTIVE
COLVAR 1
TARGET [angstrom] 2.602.
INTERMOLECULAR T
&END COLLECTIVE
&END CONSTRAINT
&CONSTRAINT
&COLLECTIVE
COLVAR 2
TARGET [angstrom] 2.807
INTERMOLECULAR T
&END COLLECTIVE
&END CONSTRAINT
Do I have to repeatedly include two $colvar and two &CONSTRAINT sections in
the input file?
THANKS
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