Saranya Vasudevan

3 Questions 2 Answers 0 Followers

Questions related from Saranya Vasudevan

Which laptop or workstation should I buy (latest model) for working in computational physics?

Which laptop should I buy (latest model) for working in computational physics? For performing molecular dynamics simulation, docking, DFT and modelling etc

08 May 2023 2,582 3 View

How to rectify the error while calculating RESP charges in MCPB.py step 3?

Hi users, I want to create an itp file for my ligand (ligand with ruthenium) complex, im using MCPB.Py for generating itp for my structure during the process i got the following error kindly...

23 November 2022 3,895 0 View

How can I get itp file for ruthenium complex in Gromacs?

I am trying to do MD simulation for DNA-ruthenium (Ru) complex. Does anyone know how to generate itp file for this metal.

03 November 2022 930 2 View