Erfan Nasrollahy

3 Questions 3 Answers 0 Followers

Questions related from Erfan Nasrollahy

How to parametrize Si atoms in gromacs?

Can anyone help me parametrize Si atoms in gromacs forcefields. how can i include parameters in ffnonbonded and bonded and atomtype files of gromacs forcefield for example oplsaa or charmm? (I...

12 November 2023 8,577 3 View

How to perform md simulation silica nanoparictles ?

i want to perform md simulation of silica nanoparticles in water. can anyone help?any instruction or tutorial might help

09 November 2023 4,900 3 View

How to fix "FATAL: Atom .R<***> does not have a type"?

I want to perform a protein-ligand MD simulation using Amber. I have generated ligand frcmod, lib, rst7, and prmtop files. Then, I loaded my complex file, which contained the ligand and protein...

27 October 2023 3,821 4 View