[gmx-users] Reshaping of triclinic box

Cesar Avila cavila at fbqf.unt.edu.ar
Mon Jul 21 01:30:37 CEST 2008

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
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

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