Integration test for the simple_cycpep_predict pilot app with bond angle and bond length sampling. This generates some poly-D/L-ala backbones with some D/L-prolines thrown in, sampling with slight distortion of backbone
bondlengths and bondangles allowed.
This test also runs in MPI mode, in which case it also computes RMSD to lowest energy.
Author: Vikram K. Mulligan, Ph.D., Center for Computational Biology, Flatiron Institute (vmulligan@flatironinstitute.org).
Date: 19 November 2019