[CP2K-user] [CP2K:18965] COLVAR ANGLE_PLANE_PLANE

Liam H nmrmoose at gmail.com
Fri Jun 23 13:36:57 UTC 2023


Does anyone have any input on the correct format for setting up the COLVAR 
for ANGLE_PLANE_PLANE?

I've tried about a dozen variations and every other COLVAR works for me but 
this one always fails with the error:

" *  \___/    unknown subsection ANGLE_PLANE_PLANE of section 
ANGLE_PLANE_PLANE "

Followed the manual to the letter and could not find any examples online so 
I am not sure where the mistake is in the input.
I've tried with and without DEF_TYPE since its default type is ATOMS but it 
still fails. It says that two &PLANE should be defined but it fails to 
recognize the second subsection &PLANE

This is my input:
    &COLVAR
       &ANGLE_PLANE_PLANE
          &PLANE
          ATOMS 3 4 2
          DEF_TYPE ATOMS
          &END PLANE
          &PLANE
          ATOMS 7 11 12
          DEF_TYPE ATOMS
          &END PLANE            
       &ANGLE_PLANE_PLANE
    &END COLVAR

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