thinhgt18

Hi everyone, I have a question about molecular dynamics force field. Do the force field parameters depend on the equilibrium temperature? For example in the case of polymers, a material that is highly dependent on the temperature used? Thanks

Thanks for your response. In my simulation, I am trying to increase the temperature at equilibrium. I think these parameters depend necessarily on the chosen temperature. So for us, it is dificult to find new parameters. I am looking for right now in the literature if we could find some ideas.

Hi, I'm new in MD simulation. I have a question: how to determine the force constant in a polymer chain?. Example I have a bond, angle harmonic and dihedral multiharmonic with parameters corresponds. How can I calibrate thess parameters. Could you suggest me some articles or books for reference. Thank you.