mod_input_parameter.f90 File Reference

Data Types
type	mod_input_parameter::param_list
	Regroup all input parameter Used only for reading sda_input file and preparation stage, not anymore in the code after. More...
type	mod_input_parameter::param_list_tools
	Define input parameter for tools only, NEVER used in sda. More...

Modules
module	mod_input_parameter
	Contain all input parameter in an unique type Used only for reading and preparation, not anymore in the code after.

Functions/Subroutines
subroutine	mod_input_parameter::set_default_values (this)
	Assign default values for all input variables.
subroutine	mod_input_parameter::reset_default_solutegrid (this)

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, A.Muñiz-Chicharro, R.Beccaria 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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List all parameters in use for sda and some of the tools