SDA (SDA flex)  7.2
Simulation of Diffusional Association
Functions/Subroutines
ecm_mksites.f90 File Reference

Program ecm_mksites. More...

Functions/Subroutines

program ecm_mksites
 Make the test charges. More...
 

Detailed Description

Program ecm_mksites.

Version
{version 7.2.3 (2019)}

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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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