List of set of grid. More...
Public Attributes | |
character(128) | list_conf_fname |
in case of dynamical allocation keep copy of list_name_conf and factor grid, may change | |
real(kind=8) | distance_max |
store the maximum over all sogrid | |
logical | implicit |
related to the format of list_conformation.dat should belong to the module, because of reload | |
integer | max_size_movable_charge |
need to know the maximum size to not reallocate every time should be allocated when reading input, More... | |
integer | max_size_movable_atom |
type(nodeflex), pointer | p_first |
pointer on first and last node of the list | |
type(nodeflex), pointer | p_last |
real(kind=4) | frequence |
keep all data for update, minimal in term of memory all same type of proteins have the same frequency because sdamm=> asynchroneous update, add own time_frequence to flexible ( each protein ) and use std_freq_random | |
real(kind=4) | std_freq_random |
integer | method_flex |
to deal with the different methods of update, add option for nearest_neighbour | |
logical | nearest_ngb |
integer | total_conf |
for setting total number of conformation and the initial nb at the start of the trajectory | |
integer | initial_conf |
List of set of grid.
Each group of proteins will point indirectly, by a flexible, to one unique list
integer mod_flexibility::list_flex_type::max_size_movable_charge |
need to know the maximum size to not reallocate every time should be allocated when reading input,