[gmx-users] last line in .gro file

Vishal Agarwal vishal.iitian at gmail.com
Tue Feb 2 16:10:40 CET 2010


Dear gmx-users,

I am new to GROMACS. Can anyone tell me what does the last line in .gro file
stands for ?

The manual mentions
"box[X][X],box[Y][Y],box[Z][Z],
box[X][Y],box[X][Z],box[Y][X],box[Y][Z],box[Z][X],box[Z][Y]"

Can anyone explain what each of these mean in terms of cell parameters ?

Thanks,
vishal
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