colvars: Error: keyword "translatereference" is not supported, or not recognized in this context.

From: Victor Kwan (vkwan8_at_uwo.ca)
Date: Sun Dec 17 2017 - 22:35:33 CST

Hello,

I ran into this problem when trying to apply rmsd constrain with
"translateReference off", tried to run it with 2.12 and the nightly
version and gives the same error.

rmsd.conf:

colvar {
         name r1

         width 0.1

         rmsd {
                 atoms {
                         atomsFile input.pdb
                         atomsCol B
                         atomsColValue 1.0
                         translateReference off
                 }
                 refPositionsFile input.pdb # same as input
                 refPositionsCol B
                 refPositionsColValue 1.0
         }
}

namd output:

colvars:   Initializing a new collective variable.
colvars:   # name = "r1"
colvars:   Initializing a new "rmsd" component.
colvars:     # componentCoeff = 1 [default]
colvars:     # componentExp = 1 [default]
colvars:     # period = 0 [default]
colvars:     # wrapAround = 0 [default]
colvars:     # forceNoPBC = off [default]
colvars:     # scalable = on [default]
colvars:       Initializing atom group "atoms".
colvars:       # name = "" [default]
colvars:       # centerReference = off [default]
colvars:       # rotateReference = off [default]
colvars:       # atomsOfGroup = "" [default]
colvars:       # indexGroup = "" [default]
colvars:       # psfSegID =  [default]
colvars:       # atomsFile = "input.pdb"
colvars:       # atomsCol = "B"
colvars:       # atomsColValue = 1
colvars:       # dummyAtom = ( 0 , 0 , 0 ) [default]
colvars:       # enableForces = on [default]
colvars:       # enableFitGradients = on [default]
colvars:       Atom group "atoms" defined, 6444 atoms initialized: total
mass = 38697.1, total charge = 0.
colvars: Error: keyword "translatereference" is not supported, or not
recognized in this context.

PS: In the namd user guide, under "Advanced usage of the rmsd
component", It mentions "disabling the application of optimal
roto-translations, which lets the RMSD component decribe the deviation
of atoms from fixed positions in the laboratory frame: this allows for
custom positional restraints within the Colvars module;" To implement
that, is it simply just turning rotateReference and translateReference off?

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