SOP-GPU
Description:
SOP-GPU package, where SOP stands for the Self Organized Polymer Model fully implemented on a GPU, is a scientific software package designed to perform Langevin Dynamics Simulations of the mechanical or thermal unfolding, and mechanical indentation of large biomolecular systems in the experimental subsecond (millisecond-to-second) timescale.
Features:
Langevin dynamics simulations using the coarse-grained Self Organized Polymer (SOP) model, Multiple simulation trajectories can be performed simultaneously on a single GPU, Calpha and Calpha-Cbeta models are supported, Simulations of protein forced unfolding, Novel simulations of nanoindentation in silico, Support for hydrodynamic interactions, Up to ~100 ms of simulation time per day, Systems of up to 1,000,000 amino-acids (on GPUs with 6GB or great memory).
Multi GPU support:
Single only