[lammps-users] (no subject)

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1

Dear All:

In the lammps documentation (page no. 127) fix shake key word is used to
constrain the bonds and angles in a group.

fix 1 sub shake 0.0001 20 10 b 4 19 4 a 3 5 2
fix 1 sub shake 0.0001 20 10 t 4 6 4 m 1.0 a 31

But what are the three values (4, 19, 4) after b (bond type) and so on for a (angle type ) too?

regards,
malay

2

Those are the bond or angle types themselves. In your
data file you should have the # of bond and angle types
listed. E.g. 3 bond types mean 3 different kinds of
bonds. If harmonic is the style, then 3 different R0 and
theta0 params. The shake command is specifying
which of those types to constrain.

Steve