PRINT_NDX

This is part of the generic module

Print an ndx file

Examples

Glossary of keywords and components

The atoms involved can be specified using

ATOMS

the list of atoms that have the corresponding arguments. For more information on how to specify lists of atoms see Groups and Virtual Atoms

Compulsory keywords

STRIDE

( default=1 ) the frequency with which the quantities of interest should be output

Options

ARG	the labels of vectors that should be used when printind the NDX file
FILE	the name of the file on which to output these quantities
LESS_THAN_OR_EQUAL	when printing with arguments that are vectors only print components of vectors have a value less than or equal to this value
GREATER_THAN_OR_EQUAL	when printing with arguments that are vectors only print components of vectors have a value greater than or equal to this value
RESTART	allows per-action setting of restart (YES/NO/AUTO)
UPDATE_FROM	Only update this action from this time
UPDATE_UNTIL	Only update this action until this time