ERROR: Atom IDs must be consecutive for velocity create loop all

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1

i, I am sorry, should be:

LAMMPS data file. CGCMM style. atom_style hybrid generated by VMD/TopoTools v1.2 on Wed Jun 24 16:34:59 +0200 2015
18 atoms
12 bonds
6 angles
0 dihedrals
0 impropers
2 atom types
1 bond types

Marta

2

Hi,

You could create the velocities earlier? (before deleting atoms).

P

3

Hi Marta,

You can assign velocities before deleting atoms, but your script won’t work anyway. You can’t delete an atom which is a part of a defined angle. LAMMPS will return an error like this one: “ERROR on proc 0: Angle atoms 1 3 2 missing on proc 0 at step 0 (…/neigh_bond.cpp:283)”, so you have to delete an angle before deleting an atom (otherwise there will be a similar error).
See more: http://lammps.sandia.gov/doc/delete_bonds.html

Michal

4

Or use a different velocity option after you have deleted atoms.

Loop all is the default, but you can also do loop local or geom.

See the velocity doc page.

Steve