[gmx-users] last line in .gro file

[Justin A. Lemkul]

Vishal Agarwal wrote:
> 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 ?
> 

The last line contains the box vectors.  Specifics in terms of unit cell 
geometry are given in the manual, Table 3.1 and section 3.2.1.

-Justin

> Thanks,
> vishal
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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