Change pressure of a system using a compression rate

GROMACS version: 2020
GROMACS modification: No


I am very new to MD simulations involving change in pressure of the system. My task is to compress a system of water (TIP4P/2005) with a certain compression rate like 1–1000 MPa /ns.

I went through the docs for mdp options but I could not figure how to set this compression rate. Could you please tell me how to do this or lead me to a resource which explicitly talks about changing a pressure of a system from P1 to P2 with the rate r.

Awaiting your response.

Thank you.

There is no such feature in GROMACS. The closest you can come is simply running consecutive simulations at new pressure values.

Thanks @jalemkul
I guess that is the way to go !