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:

INCLUDE FILE=filename

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

DISTANCE ATOMS=1,2 LABEL=dist
RESTRAINT ARG=dist AT=2.0 KAPPA=1.0

could be split up into two files as shown below:

DISTANCE ATOMS=1,2 LABEL=dist
INCLUDE FILE=toBeIncluded.inc

plus a "toBeIncluded.inc" file

#SETTINGS FILENAME=toBeIncluded.inc
# this is toBeIncluded.inc
RESTRAINT ARG=dist AT=2.0 KAPPA=1.0

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:

# this is wrong:
DISTANCE INCLUDE FILE=options.dat
RESTRAINT ARG=dist AT=2.0 KAPPA=1.0