Hello all,
I want to simulate a system containing macroions (radius 15 angstroms),
counter ions (radius 1 angstrom) and TIP3P water molecules. I have set some
values for LJ parameters of macro and counterions. As obvious, I need to
set larger LJ cutoff distance for incorporating the LJ interaction
potential due to large macroion size but the calculation blows off even for
a cutoff distance of 20 angstroms. Can anyone suggest me a solution
for this?
Any help would be really appreciated.
Thanks.
Rakesh Srivastava
Research Fellow
School of Computational & Integrative Sciences
Jawaharlal Nehru University, New Delhi-110067
India
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Received on Mon Mar 25 2019 - 06:30:03 PDT
