[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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