CV:RGYR

Navigation: Documentation / Collective Variables / CV:RGYR

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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 radius of gyration of atoms in the group A.

$\xi = \sqrt{ \frac { \sum_{i=1}^{group_A} m_i ( \bold x_i - \bold A_{com}) ^2 } { \sum_{i=1}^{group_A} m_i} }$

PBC note: The minimum-image convention is not used.

Specification

Section name: RGYR

Key	Type	Default	Description
name	string		unique CV name
group_a	mask		atoms specifying the group A

Keys in bold are mandatory.