Fatma Kubra Ata

2 Questions 2 Answers 0 Followers

Questions related from Fatma Kubra Ata

Atomic charge optimization?

Dear researchers, For my MD simulation study, I want to reduce the high param penalty score in my ligand topology file and perform load optimization. I calculated the load with ORCA and installed...

01 August 2025 4,141 3 View

Atomic charge optimization

Dear researchers, For my MD simulation study, I want to reduce the high param penalty score in my ligand topology file and perform load optimization. I calculated the load with ORCA and installed...

01 January 1970 6,628 0 View