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Commit b0115d73 authored by Mark Friedrichs's avatar Mark Friedrichs
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Missing pGBVIData

parent 7a36f461
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platforms/cuda/src/kernels/cudatypes.h
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...@@ -349,6 +349,7 @@ struct cudaGmxSimulation { ...@@ -349,6 +349,7 @@ struct cudaGmxSimulation {
float tauDeltaT; // tau*deltaT float tauDeltaT; // tau*deltaT
float collisionFrequency; // Collision frequency for Andersen thermostat float collisionFrequency; // Collision frequency for Andersen thermostat
float2* pObcData; // Pointer to fixed Born data 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) float2* pAttr; // Pointer to additional atom attributes (sig, eps)
float4* pCustomParams; // Pointer to atom parameters for custom nonbonded force float4* pCustomParams; // Pointer to atom parameters for custom nonbonded force
int4* pCustomExceptionID; // Atom indices for custom nonbonded exceptions int4* pCustomExceptionID; // Atom indices for custom nonbonded exceptions
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