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