Further Comments

The CONFIG file has the same format as the output file REVCON (section 4.2.3). When restarting from a previous run of DL_POLY_2 (i.e. using the restart or restart scale directives in the CONTROL file - above), the CONFIG file must be replaced by the REVCON file, which is renamed as the CONFIG file. The copy macro in the execute sub-directory of DL_POLY_2 does this for you.

Table 4.5: CONFIG file key (record 2)

levcfg	meaning
0	Coordinates included in file
1	Coordinates and velocities included in file
2	Coordinates, velocities and forces included in file

Table 4.6: Periodic boundary key (record 2)

imcon	meaning
0	no periodic boundaries
1	cubic boundary conditions
2	orthorhombic boundary conditions
3	parallelepiped boundary conditions
4	truncated octahedral boundary conditions
5	rhombic dodecahedral boundary conditions
6	x-y parallelogram boundary conditions with
	no periodicity in the z direction
7	hexagonal prism boundary conditions