Commits · 2141605b6a2ac10b50fc2e209260c6dada05558b · tsoc / openmm

"...cuda-old/src/kernels/kCalculateCMAPTorsionForces.cu" did not exist on "551eb6008dc5924fb93878b0d68bf2bfcf0d455a"

09 Aug, 2011 1 commit
- Added missing lambda factor in second OBC force loop of free energy plugin · 2141605b
  Mark Friedrichs authored Aug 09, 2011
  
  2141605b
20 Nov, 2009 1 commit
- bornRadiusScaleFactors were not included in second GB/VI force loop · ab09b522
  Mark Friedrichs authored Nov 20, 2009
```
removed some cruft
```
  ab09b522
19 Nov, 2009 1 commit

Mark Friedrichs authored Nov 19, 2009

Fixed bug: was calling kReduceObcGbsaSoftcoreBornForces instead of kReduceGBVISoftcoreBornForces in GB/VI force calculation

d80ba38f

18 Nov, 2009 2 commits
- Added extern' to SetCalculateLocalSoftcoreGpuSim definition · e6bd8433
  Mark Friedrichs authored Nov 18, 2009
  
  e6bd8433
- Mods to get Free energy plugin libs to compile on Windows; still problem w/... · 98c26853
  Mark Friedrichs authored Nov 18, 2009
```
Mods to get Free energy plugin libs to compile on Windows; still problem w/ kCalculateLocalSoftcoreForces.cu
and hence OpenMMFreeEnergyCuda lib
```
  98c26853
11 Nov, 2009 1 commit
- Mods to remove requirement that nonbonded force buffer size should be doubled for GB/VI and OBC · 7b89b1bf
  Mark Friedrichs authored Nov 11, 2009
  
  7b89b1bf
10 Nov, 2009 1 commit
- Added missing kReduceObcGbsaSoftcoreBornForces · f3aa6be9
  Mark Friedrichs authored Nov 10, 2009
  
  f3aa6be9
09 Nov, 2009 1 commit
- NonPolarPrefactor for GBSA OBC was missing for CudaPlatform · 0d42a187
  Mark Friedrichs authored Nov 09, 2009
  
  0d42a187
03 Nov, 2009 1 commit

dded GB/VI to Cuda platform · 7a36f461

Mark Friedrichs authored Nov 03, 2009

Free energy plugin added
Plugin will not run w/ Obc or GB/VI forces unless line 2004 of gpu.cpp (gpu->sim.totalNonbondOutputBuffers = 2*gpu->sim.nonbondOutputBuffers;) is commented in -- working on removing this constraint
Also unit tests for GB/VI currently fail

7a36f461