CV:RSWITCH

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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 / Path

PTPATHS, PTPATHS2P, PTPATHS2PN, PTPATHZ, PATHS2, PATHZ, WORMPOS, WORMANG

Energy

POT

Algebra

ADD, SUB, MULT, DIV, FSWITCH, RSWITCH

Definition

Transformation of a given CV using a rational function.

$\xi =\frac{1-{\left(\frac{{\xi }_{arg}-{\xi }_{offset}}{{\xi }_{reference}}\right)}^n}{1-{\left(\frac{{\xi }_{arg}-{\xi }_{offset}}{{\xi }_{reference}}\right)}^m}$

Specification

Section name: CNRF

Key	Type	Default	Description
name	string		unique CV name
arg	string		name of argument CV, the CV must be already defined
offset	real		the value of ξoffset [the same unit as it has the argument CV]
reference	real		reference value of argument CV [the same unit as it has the argument CV]
npower	integer		the value of n-power
mpower	integer		the value of m-power

Keys in bold are mandatory.