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tsoc
openmm
Commits
b0115d73
Commit
b0115d73
authored
Nov 03, 2009
by
Mark Friedrichs
Browse files
Missing pGBVIData
parent
7a36f461
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platforms/cuda/src/kernels/cudatypes.h
platforms/cuda/src/kernels/cudatypes.h
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platforms/cuda/src/kernels/cudatypes.h
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b0115d73
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@@ -349,6 +349,7 @@ struct cudaGmxSimulation {
float
tauDeltaT
;
// tau*deltaT
float
collisionFrequency
;
// Collision frequency for Andersen thermostat
float2
*
pObcData
;
// Pointer to fixed Born data
float4
*
pGBVIData
;
// Pointer to fixed Born data for GB/VI algorithm
float2
*
pAttr
;
// Pointer to additional atom attributes (sig, eps)
float4
*
pCustomParams
;
// Pointer to atom parameters for custom nonbonded force
int4
*
pCustomExceptionID
;
// Atom indices for custom nonbonded exceptions
...
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