Altaf Ahmad Shah

2 Questions 4 Answers 0 Followers

Questions related from Altaf Ahmad Shah

Does Aceademic version of Desmond tool provided from D.E .Shaw be used to perform MD simulation of Protein ligand complex?

I need to perform MD simulation, Does Desmond Academic/non- comercial tool by D.E shaw provides all the functions and modules fully to prepare protein and ligand? If anyone knows please forward...

21 November 2021 6,688 5 View

How to fix this fatel error in MD simulation of protein ligand complex?

How to fix this problem? Fatal error: Residue 3 named ASP of a molecule in the input file was mapped to an entry in the topology database, but the atom CG used in that entry is not found in the...

30 March 2021 9,217 3 View