Commits · 2e927a352465404a46dac36f37bab54886add910 · tsoc / openmm

"platforms/reference/tests/TestReferenceSettle.cpp" did not exist on "64493da66474b3874c798d21d81b23fd5560134c"

10 Apr, 2014 2 commits

Add support for the Amber GB forces. Put in the correct radii determination · c293c198
Jason Swails authored Apr 10, 2014
```
(again, code pulled from ParmEd) and update the tests to include this.
```
c293c198

Add a couple unittests for CHARMM files. Good thing, too, because they helped · 31f09353

Jason Swails authored Apr 09, 2014

pick up some bugs that were not caught in my initial test following the port
from ParmEd.

All 4 tests pass right now, although no periodic systems are being tested.
Currently CHARMM, XPLOR, and VMD tests are all being run (for the same ala-3
system).

Disable implicit solvent tests, since there is no robust radii assignment
routine yet (the radii are stored in the Amber topology file).  I will port my
assignment routine from ParmEd here shortly and then re-enable the GB tests.

31f09353