ecm_expand.f90 File Reference

Program ecm_expand. More...

Functions/Subroutines
program	ecm_expand
	Make the regularization step. More...
subroutine	read_input_expand (filename, list_param_ecm)
	Read fixed format ecm.in, similar to sda6 input. More...

Detailed Description

Program ecm_expand.

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

read_input_expand()

subroutine read_input_expand	(	character, dimension(*)	filename,
		type ( param_ecm )	list_param_ecm
	)

Read fixed format ecm.in, similar to sda6 input.

only needed for this program

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