4 Questions 3 Answers 0 Followers
Questions related from Dare Ayoade
I created a pdb rhamnolipid molecular structure using gaussview and I tried using charmgui to create generate files for my molecular dynamic simulations. But unfortunately, charm gui wont create...
12 March 2024 8,265 1 View
Am working on optimizing lipid/metal system using gaussian, but am getting the " Error reading general basis specification" Any help in fixing this. I have attached copy of my input file Could...
24 June 2023 7,888 1 View
What is the best DFT functional and basis set for structure optimization of Organic molecules complexes with metals such Cu, Pb, Zn?
12 June 2023 7,656 7 View
I am trying to optimized a C10H10 rhamnolipids complex with metal using B3LYP and def2-SVP opt summitted using an HPC and its been running for the past 2 days. Could this be the basis sets chosen...
09 June 2023 1,412 0 View
