Soumya Lipsa Rath

3 Questions 3 Answers 0 Followers

Questions related from Soumya Lipsa Rath

Is it possible to simulate compounds at 900 degree Celcius? What kind of thermostat should be used?

There is a certain diffusion process which has to be studied at temperature around 900 degree Celcius. Although the system size is small, I am skeptical about which thermostats we should be using?...

20 September 2024 3,294 1 View

How do we get forcefield parameters for the molecules that bind to DNA?

I have a system of DNA and a certain molecule that shows good docking energy with DNA. I want to run the simulation in gromacs. The parameters I should use for DNA is amberff99parmbsc so I tried...

20 October 2023 2,216 2 View

Silicon atom types in Charmm36 ff?

Hi, I want to simulate a ligand containing Silicon atoms ( present in the aromatic form as well). I wanted to ask if anybody could let me know the presence of silicon atom types in Charmm36...

15 June 2018 4,876 3 View