Rakesh Pandit

3 Questions 9 Answers 0 Followers

Questions related from Rakesh Pandit

How should I assign the charges calculated by AM1-BCC to gromos 96 ligand file?

I am new at molecular simulations using GROMACS. So following the online tutorial for Protein-Ligand Complex by Dr. Justin, I have generated topology file for my ligand using PRODRG server for...

04 June 2015 6,270 3 View

Can anyone help me with the interpretation of Gromacs result?

I had done simulation of my protein-ligand complex and generated the attached potential energy graph. I need to know if my graph is correct and if not what should I do to improve/correct my results.

12 May 2015 8,018 10 View

Can anyone help me in simulation studies of enzyme-ligand complex using gromacs?

I want to generate topology file for protein ligand complex to be used with Gromos96 force field. I want a reliable software or website (Except PRODRG 2.5) that can help me achieve the solution.

08 May 2015 4,776 3 View