Including other files

If, for some reason, you want to spread your PLUMED input over a number of files you can use INCLUDE as shown below:

Click on the labels of the actions for more information on what each action computes

INCLUDE 
FILE
compulsory keyword 
file to be included 
=filename  You cannot view the components that are calculated by each action for this input file. Sorry 

So, for example, a single "plumed.dat" file:

Click on the labels of the actions for more information on what each action computes

contract shortcuts

dist: DISTANCE 
ATOMS
the pair of atom that we are calculating the distance between. 
=1,2 The DISTANCE action with label dist calculates a single scalar value
RESTRAINT 
ARG
the values the harmonic restraint acts upon. 
=dist 
AT
compulsory keyword 
the position of the restraint 
=2.0 
KAPPA
compulsory keyword ( default=0.0 )
specifies that the restraint is harmonic and what the values of the force constants
on each of the variables are 
=1.0 The RESTRAINT action with label 

dist: DISTANCE 
ATOMS
the pair of atom that we are calculating the distance between. 
=1,2 The DISTANCE action with label dist calculates a single scalar value

could be split up into two files as shown below:

Click on the labels of the actions for more information on what each action computes

dist: DISTANCE 
ATOMS
the pair of atom that we are calculating the distance between. 
=1,2 The DISTANCE action with label dist calculates a single scalar value
INCLUDE 
FILE
compulsory keyword 
file to be included 
=toBeIncluded.inc The INCLUDE action with label 

plus a "toBeIncluded.inc" file

Click on the labels of the actions for more information on what each action computes

#SETTINGS FILENAME=toBeIncluded.inc
# this is toBeIncluded.inc
RESTRAINT 
ARG
the values the harmonic restraint acts upon. 
=dist 
AT
compulsory keyword 
the position of the restraint 
=2.0 
KAPPA
compulsory keyword ( default=0.0 )
specifies that the restraint is harmonic and what the values of the force constants
on each of the variables are 
=1.0  You cannot view the components that are calculated by each action for this input file. Sorry 

However, when you do this it is important to recognize that INCLUDE is a real directive that is only resolved after all the Comments have been stripped and the Continuation lines have been unrolled. This means it is not possible to do things like:

Click on the labels of the actions for more information on what each action computes

# this is wrong:
DISTANCE 
INCLUDE
 could not find this keyword 
 
FILE
 could not find this keyword 
=options.dat  You cannot view the components that are calculated by each action for this input file. Sorry 
RESTRAINT 
ARG
the values the harmonic restraint acts upon. 
=dist 
AT
compulsory keyword 
the position of the restraint 
=2.0 
KAPPA
compulsory keyword ( default=0.0 )
specifies that the restraint is harmonic and what the values of the force constants
on each of the variables are 
=1.0  You cannot view the components that are calculated by each action for this input file. Sorry