A ready for use program software with a basic complete sample of functions for molecular dynamics calculations using graphic processor units (GPU) is proposed. The potentials of MM2 and AMBER are realized in the software with the possibility to combine them.
References in zbMATH (referenced in 1 article , 1 standard article )
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- Tarasov, D. S.; Izotova, E. D.; Alisheva, D. A.; Akberova, N. I.: GPAMM-software package for molecular dynamics on graphical processing units (2009)