CV:RAD

Navigation: Documentation / Collective Variables / CV:RAD

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Distance

DD, DIS, MDIS, MDISG, ODIS, OPOS, OPOS2, ORAD, ORAD2, POS, RAD

Angle

ANG, ANG2, AXANG, AXANG2, DIH, DIH2, PANG, PVANG

Coordination

CNFF, CNGFF, CNSW, CNGSW, CNRF, CNGRF

Shape

ACYL, ASPH, EVEC, PMGTD, PMOGT, PLANE, RGYR, RMSDT, SANIS

Nucleic Acids

NALBPP, NASBPP, NASBPPOLD, NALSTP, NASSTP, NASSTPOLD, NASBO, NAPBO, NABEND

Puckering

PUCK6Q, PUCK6P, PUCK6T, PUCK5Q, PUCK5P

Special

WORMPOS, WORMANG

Energy

POT, EGAP

Algebra

ADD, SUB, MULT, DIV, FSWITCH, RSWITCH

Definition

The radial distance of the point from z-axis.

$\xi = \sqrt{A_{com,x}^2 + A_{com,y}^2}$

The z-axis can be reoriented to any axis of the original coordinate system.

Specification

Section name: RAD

Key	Type	Default	Description
name	string		unique CV name
group_a	mask		atoms specifying the point A
direction	x, y, z		determine direction of z-axis in the native coordinate system

Keys in bold are mandatory.