SDA  7.1
Simulation of Diffusional Association
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mod_flexibility::list_flex_type Type Reference

List of set of grid. More...

Collaboration diagram for mod_flexibility::list_flex_type:

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
 

Detailed Description

List of set of grid.

Each group of proteins will point indirectly, by a flexible, to one unique list

Member Data Documentation

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,


The documentation for this type was generated from the following file: