Sayantan Mondal

2 Questions 21 Answers 0 Followers

Questions related from Sayantan Mondal

Why VMD is not showing some of the helices in a protein (after pdb2gmx command)?

Hello everyone, I tried to generate the topology and .gro file for a protein in GROMACS using pdb2gmx command. When I visualise the .gro file in VMD (new cartoon representation) some of the...

30 January 2017 6,454 5 View

Is it possible to simulate protein tagged with a dummy point charge (spherical) or point dipole in water ?

I want to tag a protein molecule with a dummy hard sphere containing some charge or a point dipole instead of that sphere. I don't know if it can be done in GROMACS / NAMD packages. Is there any...

26 August 2016 3,641 1 View