[gmx-users] GROMACS version issue

[Yasaman KARAMI]

Dear GROMACS developers,


I am performing classical MD simulations of a membrane protein system, using GROMACS 2018.6 version. I have just noticed that after few nano seconds, the box dimensions are changing. Meaning that the system shrinks along the z-axis, for example dimensions are changing from 98.4 x 98.4 x 299.1 (A^3) to 116.8 x 116.8 x 212.9 (A^3).

After trying so many possibilities, I've realised it is a version specific problem. Trying GROMACS 2019.4 the problem is totally solved.

I was wondering if you could explain the reason.


Thank you in advance.

Best regards,
Yasaman