Janmejaya Rout

4 Questions 6 Answers 0 Followers

Questions related from Janmejaya Rout

What is the reason behind higher RMSD fluctuations of proteins consisting of multiple subunits and how can I fix it?

I performed a 100 ns simulation of hemoglobin (containing all four chains) using gromacs. But during data analysis, I found higher fluctuations. I have attached the figure of RMSD for reference....

12 April 2021 2,987 6 View

How to create topology file for cyanocobalamin to be used in GROMACS with CHARMM forcefield?

I want to create a topology file for cyanocobalamin to be compatible with CHARMM forcefield to use in GROMACS. But the Cobalt atom is creating the problem while using cgenff. Any suggestions to...

12 December 2020 2,182 1 View

How to functionalize bare gold nano clusters with citrate group?

I want to perform md simulation of citrate functionalized gold nano particles. Can anyone please suggest me some idea to create a citrate functionalized spherical gold nano cluster for the same?

11 July 2019 1,451 0 View

Can any one explain the reason behind negative OD values at certain regions of the UV-Vis spectra?

I got positive OD values for pure sample. But I got negative OD values at certain regions of the spectra upon addition of nanoparticles successively in both the reference and sample cuvettes. what...

15 April 2019 8,191 11 View