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
--
========================================
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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