GROMACS version: 2022
GROMACS modification: Yes/No
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Hi,
My system contains two components, a polymer, and water. The polymer displays a high glass transition temperature in simulations (~1050 K). Thus, sampling equilibrated configurations at 300 K is not feasible by running extended simulations. However, there is a sub-annealing schedule designed in the literature to do the sampling of this polymer where it uses high temperature (800 K) and cooling down the polymer to 300 K. Can I use this annealing schedule only for the polymer but keep the temperature of water at 300 K in my MD simulations. I appreciate your help on this.
Thank you.