#
# bug fix restraint torsion
2gly_IT-NEB-CV.inp
2gly_IT-NEB-CV-res.inp
# numerics after new units converter
2gly_IT-NEB-CV.inp
2gly_IT-NEB-CV-res.inp
# numerics
2gly_IT-NEB-CV.inp
2gly_IT-NEB-CV-res.inp
#numerics parallel bfgs
2gly_IT-NEB-CV.inp
2gly_IT-NEB-CV-res.inp
# numerics
2gly_IT-NEB-CV.inp
2gly_IT-NEB-CV-res.inp
