[gmx-users] Reshaping of triclinic box

[Cesar Avila]

Dear all,
I am running a simulation on gromacs 3.3 using periodic boundary
conditions in a triclinic box with anisotropic pressure coupling. Since
the simulation box has suffered some deformations, it is not rectangular
anymore.
1- I would like to know if it is possible to apply some transformations to
the actual coordinates in order to obtain again a rectangular box.
2- I would also like to set a new center for the simulation box.


Thanks in advance
Cesar