mod_init_position.f90 File Reference

Modules
module	mod_init_position
	Groups functions for intialisation of position. Include all random_position subroutines.

Functions/Subroutines
subroutine	mod_init_position::init_position_protein (tab_protein, type_calc, geom, dist, iflex, current_conf, p_restart, current_occur, n_repeat_occur)
	Initialize the position of the protein at each run. .
subroutine	mod_init_position::random_pos_orient (prot, geom, t_calc)
	Set random position and orientation for one protein.
subroutine	mod_init_position::random_pos_orient_nambox (prot1, prot2, geom, t_calc)
subroutine, private	mod_init_position::random_position_xyz (geom, rtry, opt_fixed_z)
	Called by random_pos_orient, depending on the geometry.
subroutine, private	mod_init_position::random_position_sphere (rtry, start_pos)
	Called by random_pos_orient.
subroutine, private	mod_init_position::random_position_halfsphere (rtry, start_pos, min_height)
	Called by random_pos_orient.
subroutine, private	mod_init_position::random_orientation (rot_try)
	Called by random_pos_orient.

Detailed Description

Version

{version 7.2.3 (2019)}

Copyright (c) 2009, 2010, 2015, 2016, 2019 Heidelberg Institute of Theoretical Studies (HITS, www.h-its.org) Schloss-Wolfsbrunnenweg 35 69118 Heidelberg, Germany

Please send your contact address to get information on updates and new features to "mcmsoft@h-its.org". Questions will be answered as soon as possible.

References: see also http://mcm.h-its.org/sda7/do:c/doc_sda7/references.html:

Brownian dynamics simulation of protein-protein diffusional encounter. (1998) Methods, 14, 329-341.

SDA 7: A modular and parallel implementation of the simulation of diffusional association software. Journal of computational chemistry 36.21 (2015): 1631-1645.

Authors: M.Martinez, N.J.Bruce, J.Romanowska, D.B.Kokh, P.Mereghetti, X. Yu, M. Ozboyaci, M. Reinhardt, P. Friedrich, R.R.Gabdoulline, S.Richter and R.C.Wade

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group functions for setting the initial position