Abhishek Kumar Gupta

3 Questions 2 Answers 0 Followers

Questions related from Abhishek Kumar Gupta

Do I have to put position restraint on solute (polymer chains) during Vacuum MD simulations with NVT ensemble using GROMACS ?

I have a very basic question of doing vacuum md simulation of my polymer molecule. Shall I put the position restraint on my polymer (solute) molecule while doing vacuum MD simulation ? Is the...

01 January 2018 6,537 0 View

I'm unable to visualize Polyethylene molecule created using Rotational Isomeric State theory. What might be the possible reason ?

Hello everyone, I have generated random coordinates of 25 bead polyethylene molecule using rotational isomeric state theory. While trying to visualize in VMD or Material Studio software package,...

03 March 2016 6,798 1 View

How does the radius of gyration of polyelectrolytes vary with the light scattering intensity i.e I theta value?

MD simulations give the radius of gyration values but validation of the same is possible with experimental light scattering studies of polyelectrolytes.

12 December 2013 3,797 0 View