GROMACS version: 2018
GROMACS modification: Yes/No
I want to simulate a system in high-pressure condition, about 200-500 bar.
I’ve simulated my system in atmospheric condition (1 bar and 300 K) successfully before but now I need to increase the pressure.
What should I do?
which parameters do I have to consider?
Is there any tutorial?
Any help will be appreciated.