SDA  7.1
Simulation of Diffusional Association
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Functions/Subroutines
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)
 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 7.1 (2015)}

Copyright (c) 2009, 2010, 2015 Heidelberg Institute of Theoretical Studies (HITS, www.h-its.org) formerly EML Research gGmbH (EML-R ) Schloss-Wolfsbrunnenweg 35 69118 Heidelberg, Germany

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References (see also http://mcm.h-its.org/sda7/doc/doc_sda7/references.html):

Brownian dynamics simulation of protein-protein diffusional encounter.

(1998) Methods, 14, 329-341.

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


Function/Subroutine Documentation

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 
)

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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