This is part of the colvar module

This file provides a template for if you want to introduce a new CV.

The atoms involved can be specified using

ATOMS

the keyword with which you specify what atoms to use should be added like this. For more information on how to specify lists of atoms see Groups and Virtual Atoms

Compulsory keywords

TEMPLATE_COMPULSORY

all compulsory keywords should be added like this with a description here

Options

NUMERICAL_DERIVATIVES	( default=off ) calculate the derivatives for these quantities numerically
NOPBC	( default=off ) ignore the periodic boundary conditions when calculating distances
TEMPLATE_DEFAULT_OFF_FLAG	( default=off ) flags that are by default not performed should be specified like this
TEMPLATE_DEFAULT_ON_FLAG	( default=on ) flags that are by default performed should be specified like this

TEMPLATE_OPTIONAL

all optional keywords that have input should be added like a description here

Examples