Vivek Js

2 Questions 1 Answers 0 Followers

Questions related from Vivek Js

How can i solve the Fatal error: Residue ‘SO4’ not found in residue topology database in Gromacs MDS ?

my current protein has SO4 as a cofactor, and it gives me this error when performing force field OPLS/AA I tried removing SO4, but then protein seems to destabilize over time, any way to correct...

01 January 2019 1,436 5 View

The results from protein-ligand docking shows some unfavourable steric bumps when viewed in Discovery studio.anyone know what does that mean ?

what does it mean. will it affect my docking results. if it affects how to prevent them ??

10 October 2017 3,274 4 View