feenstra at few.vu.nl
Tue May 31 13:18:09 CEST 2005
Jordi Camps wrote:
> When I use trjconv -f -o -ur compact and I feed the program a file with an
> octahedric box but with the brick shaped representation used by mdrun, I get
> an octahedrical representation.
> How could I do the inverse trip? Given the octahedrical representation,
> generate que brick shaped one?
> Is there any command I'm missing or I just do the transform myself? In the
> last case, which would be the formula used by Gromacs to do te transform?
Try '-ur rect'.
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