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nadPaCS

We release a friendly version for method developers to employ the Parallel Cascade Selection Molecular Dynamics simulations to perform xPaCS-MD with AMBER, GROMACS, NAMD, OpenMM, LAMMPS. This package takes the full use of Parallel Programming on distributed system HPC or either serial running on single GPU machine. A additional library for handling the trajectories modification for calculation is needed to increase the speed of execution.

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We release a friendly version for method developers to employ the Parallel Cascade Selection Molecular Dynamics simulations to perform xPaCS-MD with AMBER, GROMACS, NAMD, OpenMM, LAMMPS.

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