GROMACS version: 5.0.7

GROMACS modification: Yes/No

Hi. I want to simulate a triclinic box. The basis vectors and the angles of the unit cell are:

a=0.650 nm, b=0.663 nm, c=2.078 nm, α=90, β=99.5, γ=90

I have created 6 replicas along x axis, 8 along y axis and 3 along z axis. That gives me:

6*a=3.9, 8*b=5.304, 3*c=6.234
How can I write correctly these coordinates to a gro file?
In a post I read that the box vector in a gro file follow the sequence of:
ax by cz ay az bx bz cx cy
If that’s true, then in my case:
3.9 5.304*sin(γ) 6.234 0 0 5.304*cos(γ) 0 0 0

Is that correct?

Thank you in advance.