[gmx-users] Simulation Box
Hadas Lapid
hadas.lapid at weizmann.ac.il
Sun Jul 18 17:55:02 CEST 2004
I wanted to know weather on the output .gro (/ .pdb) trajectory file
the boundary corner of the simulation box is located conventionally at
(0,0,0) coordinates.
and if not, how can I find the coordinates of the box (its boundaries)
without having to sort the molecular coordinates of all atoms in search
for extremal values of x,y and z in each frame?
Sincerely,
Hadas
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