make_bd_move_2prot_timer_excl.f90 File Reference

Same as make_bd_move_2prot, but use timer_excl as input ( could be optional ) More...

Functions/Subroutines
subroutine	make_bd_move_2prot_timer_excl (prot1, prot2, geom, force, torque, torque1, dtnow, dist, rhit, hit, accept, escape, total_overlap, timer_exchk, old_rotation)
	Main function to call to the brownian dynamics translation and rotation, version with timer_exclusion. More...

Detailed Description

Same as make_bd_move_2prot, but use timer_excl as input ( could be optional )

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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Function/Subroutine Documentation

make_bd_move_2prot_timer_excl()

subroutine make_bd_move_2prot_timer_excl	(	type ( protein )	prot1,
		type ( protein )	prot2,
		type ( geometry ), intent(in)	geom,
		real ( kind=8 ), dimension ( 3 ), intent(in)	force,
		real ( kind=8 ), dimension ( 3 ), intent(in)	torque,
		real ( kind=8 ), dimension ( 3 ), intent(in)	torque1,
		real ( kind=8 ), intent(in)	dtnow,
		real ( kind=4 )	dist,
		real ( kind=4 )	rhit,
		logical, intent(out)	hit,
		logical, intent(out)	accept,
		logical, intent(out)	escape,
		integer	total_overlap,
		type ( mytimer )	timer_exchk,
		logical	old_rotation
	)

Main function to call to the brownian dynamics translation and rotation, version with timer_exclusion.

see make_bd_move_2prot.f90

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