Saurodeep Mandal

2 Questions 2 Answers 0 Followers

Questions related from Saurodeep Mandal

How to install DFTB+ on UBANTU? Which parameter files are important for energy optimisation ? mio or ob2.?

To calculate electrostatic and non covalent interactions in between two organic and bio molecule which parameter files will be useful..? How to incorporate them in the calculation.. Any tutorial,...

31 May 2022 2,207 1 View

How can I generate powder XRD pattern by simulating Single crystal xray data ?

21 January 2019 675 10 View