Commits · a138663d61116c35f1358ca0e6a49cf2782d1509 · tsoc / openmm

16 Oct, 2008 1 commit

Changed how kernels get initialized. StandardMMForceField now has you set the... · a138663d

Peter Eastman authored Oct 16, 2008

Changed how kernels get initialized.  StandardMMForceField now has you set the 1-4 interactions explicitly.  CMMotionRemover allows the removal frequency to be set.

a138663d

29 Apr, 2008 2 commits
- Created reference implementation of BrownianIntegrator · 5c4be2f0
  Peter Eastman authored Apr 29, 2008
  
  5c4be2f0
- Continuing to implement ReferencePlatform (implemented GBSA kernels, added... · 2cfc6821
  Peter Eastman authored Apr 29, 2008
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Continuing to implement ReferencePlatform (implemented GBSA kernels, added test case for SHAKE and fixed some bugs in it)
```
  2cfc6821
25 Apr, 2008 2 commits
- Added SFMT as a random number generator for the reference platform. · 0aad1354
  Peter Eastman authored Apr 25, 2008
  
  0aad1354
- Continuing to implement ReferencePlatform (implemented kinetic energy... · 85da5e0f
  Peter Eastman authored Apr 25, 2008
```
Continuing to implement ReferencePlatform (implemented kinetic energy calculation and LangevinIntegrator)
```
  85da5e0f