How to implement the solvent-free model for bilayer membranes from Cooke and Deserno in Lammps

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1

Dear Lampps Users,

I want to adopt the solvent-free model for bilayer membranes from Cooke and Deserno

http://scitation.aip.org/content/aip/journal/jcp/123/22/10.1063/1.2135785

in Lammps. But there is a not very common form for the tail-tail interaction (Eq.4 or 5). Can anyone tell me how this can be built in Lammps?

Thanks very much
Zhenpeng

2

Dear Lampps Users,

  I want to adopt the solvent-free model for bilayer membranes from Cooke
and Deserno

http://scitation.aip.org/content/aip/journal/jcp/123/22/10.1063/1.2135785

in Lammps. But there is a not very common form for the tail-tail
interaction (Eq.4 or 5). Can anyone tell me how this can be built in Lammps?

you could use pair style table for modeling these, since they both
seem to be spherical potentials.

there is one caveat, though. using pair style table requires some
tweaking and tuning to find the optimal settings and reduce the
errors. so it is usually recommended to practice with a model for
which a corresponding analytical potential exists in LAMMPS and then
determine what settings (type of table, number of tabulation points
and cutoffs) give a sufficiently good match with the analytic
expressions.

axel.