Changes between Version 1 and Version 2 of DoublingCellContents


Ignore:
Timestamp:
Apr 27, 2011, 1:02:35 PM (14 years ago)
Author:
FrederikHeber
Comment:

typo, thx Ralph

Legend:

Unmodified
Added
Removed
Modified

  • DoublingCellContents

    v1 v2  
    55Assume we have a file '''cluster.xyz''' containing a cluster of calcium-silicate-hydrate (CSH)-gel. The box is a cuboid with 88 Angstroem length. Then, we duplicate this cluster in the y and z direction as follows:
    66{{{
    7 ./molecuilder --change-box "88,0,88,0,0,88" -i cluster.xyz --repeat-box "1,2,2
     7./molecuilder --change-box "88,0,88,0,0,88" -i cluster.xyz --repeat-box "1,2,2"
    88}}}
    99