Add ability to create residue hydrogen bond interaction matrix. #960
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Version 6.4.5. Add some new keywords for
hbondaction for determining hydrogen bond interaction matrix by residue.[uuresmatrix] If specified, create a matrix with aspect [UUresmat] containing # of hydrogen bonds between each possible solute residue pair.
[uuresmatrixnorm {none|frames}] Control how matrix is normalized: none=no normalization, frames=normalize by total # frames.
[uuresmatrixout ] If specified, write matrix data to specified file.
Also protects a few more tests in parallel from too many processes.