Commits · 10be282af28b996dbfdb638585dc19862a4f4e38 · tsoc / openmm

11 Feb, 2015 1 commit

Beginnings of improvements for amber_file_parser and the CHARMM PSF file parser · 10be282a

Jason Swails authored Feb 11, 2015

to support triclinic cells.

Also extend unitcell.computePeriodicBoxVectors to take Quantity inputs rather
than *just* scalars assumed to be nanometers.

10be282a

10 Feb, 2015 1 commit
- More support for triclinic boxes · 30a53702
  Peter Eastman authored Feb 10, 2015
  
  30a53702