SDA  7.1
Simulation of Diffusional Association
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mod_van.f90 File Reference

for Van der Walls and test carges setup More...

Data Types

module  mod_van
 group VdW and test charges(for ECM) define predefined values which can be overwritten by the user (add_atoms file) More...
 
type  mod_van::atom_van
 For VdW values. More...
 
type  mod_van::atom_tcharge
 Make a separate group for test_charge values. More...
 
type  mod_van::type_van
 Regroup VdW and test charges in one object. More...
 

Detailed Description

for Van der Walls and test carges setup

Version
{version 7.1 (2015)}

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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