GROMACS version: 2020
GROMACS modification: No
Hello,
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.