Read the effective charges. More...
Functions/Subroutines | |
subroutine | read_eff_charges (o_sogrid, filename, qtot) |
Read effective charges from file. More... | |
Read the effective charges.
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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
subroutine read_eff_charges | ( | type ( sogrid ), intent(inout), parameter | o_sogrid, |
character*128, intent(in) | filename, | ||
real ( kind=8 ), intent(inout) | qtot | ||
) |
Read effective charges from file.
Fill arrays position_charge and charge_grid of sogrid
o_sogrid | : instance of sogrid |
filename | : name of the file |
qtot | : total charge read from the file |