Bagher Davaeil

2 Questions 1 Answers 0 Followers

Questions related from Bagher Davaeil

How to solve unknown bond-atomtype CG311 error in gromacs ?

Dear all Gromacs users. I've simlated the protein-ligand complex system with gromos54a7 force field.I generated topology/parameter file from the cgenff_charmm2gmx_py2.py file and there is no...

16 April 2022 9,166 2 View

What are the potential shell well and atomic solvation parameters for the boron atom?

I have a protein-ligand docking project. The ligand contains boron atoms that are not detected by Autodock software. To solve this problem, it is necessary to introduce the boron atom to...

20 February 2021 1,510 1 View