Soumya Lipsa Rath

2 Questions 5 Answers 0 Followers

Questions related from Soumya Lipsa Rath

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...

06 June 2018 921 4 View

How can you calculate convergence of PCA in MD simulation?

Hi, How do I know if the PCA subspace has converged in my simulation. Is it through RMSD calculation?

05 May 2017 481 0 View