Main class owned by each protein to allow a change in conformation. More...

Collaboration diagram for mod_flexibility::flexible:

Public Attributes

type(list_flex_type), pointer	plist_flex
	pointer to list More...

integer	current_conf
	save value of the current conformation for each protein. very convenient for sdamm and reading restart file More...

type(nodeflex), pointer	p_current_node
	current node More...

real(kind=4), dimension(:), allocatable	visited_conf
	for statistics, sum up the number of visited conformations increments the time spend in each conformation More...

real(kind=4)	time_next_flex
	Time resting for the next change to an other conformation sdamm needs asynchrone changes every protein needs its own time ( kind of gillepsie algorithm ) set to time_next_flex (+random_freq) and decrease until < 0. More...

Detailed Description

Main class owned by each protein to allow a change in conformation.

Every flexible protein has a pointer to flexible.
it contains the list list_flex_type
and additional convenient variable : current_node, current_conf Manage statistics for each protein : visited_conf, could extend statistics

Member Data Documentation

◆ current_conf

integer mod_flexibility::flexible::current_conf

save value of the current conformation for each protein. very convenient for sdamm and reading restart file

◆ p_current_node

type ( nodeflex ), pointer mod_flexibility::flexible::p_current_node

current node

◆ plist_flex

type ( list_flex_type ), pointer mod_flexibility::flexible::plist_flex

pointer to list

◆ time_next_flex

real ( kind=4 ) mod_flexibility::flexible::time_next_flex

Time resting for the next change to an other conformation
sdamm needs asynchrone changes every protein needs its own time ( kind of gillepsie algorithm )
set to time_next_flex (+random_freq) and decrease until < 0.

◆ visited_conf

real ( kind=4 ), dimension (:), allocatable mod_flexibility::flexible::visited_conf

for statistics, sum up the number of visited conformations increments the time spend in each conformation

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

mod_flexibility.f90