app = "mdsim"
boot = {
    file = "apoa1.cms"
}
force = {
    constraint = {
        maxit = "40"
        tol = "1.0e-8"
        use_Reich = "false"
        use_reshake = "false"
    }
    ignore_com_dofs = "true"
    nonbonded = {
        n_zone = 128
        far = {
            n_k = ["128" "128" "128"]
            order = ["4" "4" "4"]
            type = "pme"
        }
        near = {
            type = "default"
        }
        r_cut = "9.0"
        sigma = "2.1123"
    }
}
global_cell = {
    margin = "1.0"
    partition = ["0" "0" "0"]
    r_clone = "5.0"
    reference_time = "0"
}
integrator = {
    Multigrator = {
        barostat = "none"
        nve = {
            type = "Verlet"
        }
        thermostat = "none"
    }
    dt = "0.0025"
    respa = {
        far_timesteps = "2"
        near_timesteps = "1"
        outer_timesteps = "8"
    }
    type = "Multigrator"
}
mdsim = {
    checkpt = "none"
    last_time = "15."
    plugin = {
        core_selection = {
            cores = ["0" "1" "2" "3"]
            type = "core_selection"
        }
        eneseq = {
            first = "0"
            flush_interval = "15.0"
            interval = "15.0"
            name = "eneseq"
            type = "eneseq"
        }
        list = ["status" "eneseq" "randomize_velocities" "core_selection"]
        randomize_velocities = {
            first = "0"
            interval = "Inf"
            seed = "754"
            temperature = "300"
            type = "randomize_velocities"
        }
        status = {
            first = "0"
            interval = "1.0"
            type = "status"
        }
    }
}
migration = {
    first = "0"
    interval = "0.02"
}
spatial_order = "auto"

