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GROMACS
GROMACS
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Updated date
Implements PME decomposition support in mixed mode for CUDA-backend
!1711
· created
Jun 08, 2021
by
Gaurav Garg
2022 beta targets
master
CUDA
GPU acceleration
Status
In Progress
Closed
+2
91
updated
Nov 08, 2021
Better unit testing transformation of coordinates, fixing issues that emerged, and making the finite difference for numerical derivation configurable via MDP options
!1802
· created
Jul 04, 2021
by
Oliver Fleetwood
2022 beta targets
addSupportMetaPullCoordinates
Closed
3
updated
Jul 09, 2021