Simpatico
v1.10
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The DpdPair interaction implements the soft pair interaction that was first introduced by Groot and Warren for use in dissipative particle dynamics simulaiion. The potential energy for a pair of nonbonded particles separated by a distance
is given by
for all , and
for all
. The cutoff for this potential is thus equal to
. As for all pair potentials, different values are defined for the parameters
and
for each distinct pair of monomer types
and
.
Values of and
are denoted in the parameter file and source code by matrix-valued variables named "epsilon" and "sigma", respectively. The parameter file format for DpdPair is
where epsilon and sigma are symmetric matrix in lower diagonal form. For example, for a system with two types of monomer, using the same range parameter for all interactions, we might have: