print(f"Total time taken for random walk configuration: {total_time}")
num_links = 1 # number of crosslinks
mass = 3.0 # mass of crosslinker bead
cl_kval = rw_kval
cl_epsilon = rw_epsilon
cl_sigma = rw_sigma
cl_cutoff = rw_cutoff
t0 = t1 = 0
t0 = time.time()
crosslinks = box.bonded_crosslinks(num_links,
mass,
cl_kval,
cl_cutoff,
cl_epsilon,
cl_sigma,
forbidden=[2],
selflinking=5)
timestep = 0.01
t0 = time.time()
box.simulation.structure("test_structure.in")
t1 = time.time()
print(f"Structure file created.Time taken: {t1 - t0}")
box.simulation.settings("test_lattice.in", comms=1.9)
# box.check.distance_check()
# test_bead
bead = box.walk_data(1)[5]
box.randomwalk(size,
0.9 * rw_kval,
rw_cutoff,
rw_epsilon,
rw_sigma,
bead_sequence=['b', 'c'],
termination="retract")
t1 = time.time()
print(f"Walk completed in {t1-t0} seconds")
box.bonded_crosslinks(
'd', # typeid
num_links,
cl_kval,
cl_cutoff,
cl_epsilon,
cl_sigma,
style='fene',
forbidden=['b'],
selflinking=5)
# box.randomwalk(size,
# rw_kval,
# rw_cutoff,
# rw_epsilon,
# rw_sigma,
# bead_types = {"b": 1.1,},
# restart=True,
# termination="retract")
# box.randomwalk(size,