I'm getting an unusal error when using SPLINE EPR_DISTANCE constraints with the score.linuxgccrelease function. I generated some structures ab initio using SPLINE EPR_DISTANCE constraints with rosetta_scripts.linuxgccrelease and I wanted to rescore the binary output file with some different constraint weights using score.linuxgccrelease. However, if my input constraint file (cst_fa_file) to the score.linuxgccrelease release function contains any SPLINE EPR_DISTANCE constraints, I get:
Starting work on structure: S_00001S_XXX_0001 <--- S_00001S
ERROR: ERROR: reading of AtomPair failed.
ERROR:: Exit from: src/core/scoring/constraints/ConstraintIO.cc line: 569
I know that the error is coming from is the SPLINE EPR_DISTANCE constraint, because if I change the constraint from
AtomPair CB 27 CB 186 SCALARWEIGHTEDFUNC 7.0 SPLINE EPR_DISTANCE 31.0 1.0 0.5
AtomPair CB 27 CB 186 SCALARWEIGHTEDFUNC 7.0 HARMONIC 31.0 1.0
then score.linuxgccrelease runs without any issues. I'm using Rosetta 2016.32 if that matters.