Ritaban Halder

4 Questions 2 Answers 0 Followers

Questions related from Ritaban Halder

whether GROMACS can do rmsd restrain of a protein it its starting conformation throughout the whole simulation?

Hi all. I have a query. It is about Whether GROMACS can do rmsd restraint of a protein throughout the whole simulation. I found Gromacs can do only position restraint. But my intention is the...

22 November 2020 633 4 View

CHARMM to GROMACS topology?

Hello all. Can you please suggest how can I convert CHARMM topology to a GROMACS one. I need to generate some GROMACS compatible .tpr file for analysis. I converted CHARMM .dcd trajectory to...

22 May 2020 9,039 0 View

How to read two different proteins input file in Charmm?

Hello all. I have the input files of a protein (.cor, .psf, .top, .prm files) and I have also the same files of another different protein and I am using Charmm. Now I want to check the interaction...

30 April 2020 8,275 0 View

Binary to Ascii conversion?

Hello...I want to convert a binary cor (coordinate file)file to a ASCII or charmm readable format. Please give some suggestion. Another related question is I have a .dcd file format in Charmm. How...

19 April 2020 4,290 0 View