GitLab

add getByAtomicNumber to element.

ATOM lines should be 80 chars

Fix bug in gromacs top file parser

Look for gromacs include directory in a more flexible way

Documentation updates for 5.2

Reference implementation of CustomIntegrator did not initialize the random number seed correctly

Include a comment at the top of PDB files

PdbStructure records MODRES records

Added option to increase hydrogen mass

In rare situations, _matchResidue() would take a very long time to return

Fixes to adding hydrogens to RNA

Fixed some errors in definitions of hydrogens

Minor code cleanup

Fixed compilation errors on some platforms