plugins/amoeba/platforms/reference/src/AmoebaReferenceKernels.h · 70ba177d431a7f8fa5039266c0f6035f367e530a · tsoc / openmm · GitLab

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Replaced calculation of Born radii using OBC algorithm w/ Grycuk algorithm · 25058a77
Mark Friedrichs authored Sep 30, 2011
```
TorsionTorsion grids reordered, if needed, so that first angle is the 'slow' index
Fixes for MonteCarloBarostat 
```
25058a77

AmoebaReferenceKernels.h 21.2 KB