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