Replicate unit cell in specified (or all) directions for specfied atoms and write to trajectory.

replicatecell [out <traj filename>] [parmout <parm filename>] [name <dsname>] { all | dir <XYZ> [dir <XYZ> ...] } [<mask>]

out <traj filename> Write replicated cell to output trajectory file.
parmout <parm filename> Write replicated cell topology to topology file. This file will not be viable to use for simulations.
name <dsname> If specified save replicated cell to COORDS data set.
all Replicate cell once in all possible directions.
dir <XYZ> Repicate cell once in specified directions. <XYZ> should consist of 3 numbers with no spaces in between them and are restricted to values of -1, 1, and 0. May be specified more than once.
<mask> Mask of atoms to replicate.

Create a trajectory where the unit cell is replicated in 1 or more directions (up to 27). The resulting coordinates and topology can be written to a trajectory/topology file. They can also be saved as a COORDS data set for subsequent processing. Currently replication is only allowed 1 axis length in either direction. The all keyword will replicate the cell once in all directions. The dir keyword can be used to restrict replication to specific directions, e.g. ’dir 10-1’ would replicate the cell once in the +X, -Z directions.

For example, to replicate a cell in all directions, writing out to NetCDF trajectory

parm ../tz2.truncoct.parm7
trajin ../
replicatecell out parmout cell.parm7 all