r1: RMSD REFERENCE=ref.pdb TYPE=OPTIMAL-FAST NOPBC r1x: RMSD REFERENCE=refx.pdb TYPE=OPTIMAL-FAST NOPBC r2: RMSD REFERENCE=ref2.pdb TYPE=OPTIMAL-FAST NOPBC #num-r2: RMSD REFERENCE=ref2.pdb TYPE=OPTIMAL-FAST NUMERICAL_DERIVATIVES DUMPDERIVATIVES FILE=deriv ARG=r1,r1x FMT=%12.8f #DUMPDERIVATIVES FILE=check ARG=r2,num-r2 FMT=%12.8f PRINT ... STRIDE=1 ARG=* FILE=COLVAR FMT=%12.8f ... PRINT ENDPLUMED