Manikumar Athan

4 Questions 4 Answers 0 Followers

Questions related from Manikumar Athan

How to get suitable HOMO-LUMO transition state from TD-DFT result in gaussian 9?

First up all running the TD-DFT in gaussian 9. After running get number of excited state with oscillation strength possible and the each excited state contains number of HOMO-LUMO transition...

11 July 2022 3,747 0 View

How to Mn based metal atom parameter add to autodock?

I am a beginner at autodock. Please, help me how to Mn metal atom parameters add to the autodock.

05 October 2020 7,636 5 View

Docked with Metal complex by using Autodock vina. why the Metal Complex(M-L) bonds are missed by using pymol ?

Docked with Metal complex by using Autodock vina. vina results visualized by using pymol software but Complex(M-L) bonds are missed. what is the reason for the metal-ligand bond is missed. kindly...

01 January 1970 2,404 3 View

Which free software suitable for Molecular Dynamics (MD) investigation?

I've done molecular docking experiments with both AutoDock Vina and AutoDock. Now I'm interested in running molecular dynamics (MD) simulations to investigate the interactions between the docked...

01 January 1970 5,475 8 View