Module fepana
Classes
DeltaEnergy
FreeEnergyContrib
Functions
calc_contrib
calc_convergence_rate
calc_forward_reversed_work_overlap
calc_free_energy_for_abfe_cross_link
calc_free_energy_for_abfe_cross_link_xu
calc_freeenergy_rtime_function
calc_freeenergy_stime_function
calc_freeenergy_time_function
calc_lambda_sim_matrix
calc_lambda_window_overlap
calc_long_range_dispersion_energy
calc_rmsd
calc_work_prob_distr
correct_restr
dE_correction_for_abfe_cross_link
get_abfep_cross_link
get_average_box_volume
get_average_dispersion_coefficient_from_log
get_cutoff_from_log
get_energy_table
get_global_quantity
get_mean
get_number_density_from_cms
get_pathway
long_range_dispersion_energy
parse_eneseq
plot_lambda_window_overlap
print_pathway
read_dE_file
run_bennett
violate_midpoint
Variables
__package__
angle
asl
cms_fname
data
lig_atom
mat
mean
model
model_fname
r_clone
stretch
table
torsion
traj_fname
trj_dir
[hide private]