GENESIS 1.1.2 Released!

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  • #5121


    GENESIS 1.1.2 released on Feb 22, 2017!

    This version contains a new feature and some fixes as follows.

    New feature:

    • (spdyn) Cartesian coordinates can be employed as CV in the string method


    • (rpath_generator) improved functionality
    • (atdyn/spdyn) more smart handling of restart files
    • (spdyn) show GPU hardware information in log file
    • (spdyn) multiple GPUs in a single node can be used effectively in non-OpenMPI environment (such as Intel MPI)
    • (spdyn) structure_check is implemented in spdyn (runtime structure check upon pairlist generation)
    • (atdyn) support CHARMM19

    Please also check the updated usage page about GPUs.

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