Molecular simulation packages

 

Features:

Graphics Quantum Designer Liquid Abalone
3D graphics + + + + +
Geometry measurement and editing+ + + + +
Chain builder + + + + +
Mouse drawing + + + +
Nano examples + + +
Quantum mechanics + + + +
MDynaMix integration + + +
Geometry optimization + + + +
Molecular dynamics + + + +
Hybrid Monte Carlo + +
Replica exchange + +
Implicit water:
Sheffield
Generalised Born

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Hardware acceleration:
CUDA
OpenMP
SSE2
 
 
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Scripting + +

 

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