Simran Sharma

4 Questions 2 Answers 0 Followers

Questions related from Simran Sharma

How to solve 'g_write' error in Gaussian 6.0... ?

I have used the hybrid function PBE0 and basis set as C,H,N,O=6-31G**, Co=def2-TZVP.

20 October 2023 7,699 1 View

I am facing the error " Polynomial fit failed" for the optimization using Gaussian 6.0...?

The error I am facing during optimization of a system containing C, O, H, N, Co. The polynomial fit failed. Using point 1. A contracting polynomial of degree 16 produced 0.0000 Search did not...

02 October 2023 4,699 0 View

How to identify major and minor groove binding in case of Molecular docking of A-DNA with ligand/complex?

How to analyze the groove binding through PyMol or Discovery Studio 2021 Client software.

12 July 2023 5,319 1 View

How to get the complete non-bonded interactions using the software's in case of molecular docking of DNA with ligand/complex?

A Complete detail of all the interactions present between the ligand and DNA.

12 July 2023 3,141 3 View