Simulate a beverage

User discussions
1

Hello,
I am new to MD.
My question is if it is possible to simulate a beverage like a cola drink using Gromacs. My aim is to find the vibrational frequency of the molecules when they are in interaction with each other.

I appreciate it if someone could give me an answer.

Best regards,
Sedi

2

You can of course simulate your soft drink of choice in fact people have done that before:
https://pubs.acs.org/doi/full/10.1021/acs.jpcb.7b10469