Action: FIT_TO_TEMPLATE

Module generic
Description Usage
This action is used to align a molecule to a template. used in 2 tutorialsused in 21 eggs

Further details and examples

Text from manual goes here

Syntax

The following table describes the keywords and options that can be used with this action

Keyword Type Default Description
STRIDE compulsory 1 the frequency with which molecules are reassembled
REFERENCE compulsory none a file in pdb format containing the reference structure and the atoms involved in the CV
TYPE compulsory SIMPLE the manner in which RMSD alignment is performed
NOPBC optional false ignore the periodic boundary conditions when calculating distances