Satyen Dhamankar

5 Questions 2 Answers 0 Followers

Questions related from Satyen Dhamankar

For a chain that shows coil-globule transition upon heating, what happens if temperature continues to rise?

Imagine a chain that is said to undergo a coil-globule transition at temperature Tc. Let's say we are just above Tc, and the chain shows a preference for a collapsed state. If the temperature were...

12 April 2022 7,707 0 View

Does a perfectly isotactic PNIPAM chain always crash out at all temperatures in experiment?

For a chain that is perfectly isotactic, all R or all S, does a PNIPAM chain always crash out of solution? Is this observed in experiment? Isotactic chains show a higher tendency to undergo the...

04 November 2021 4,940 0 View

What are the All-Atom parameters for methanol in the Kirkwood Buff force field?

In the the following paper, they mention the use of methanol in the Kirkwood-Buff forcefield Computational Calorimetry of PNIPAM Cononsolvency in Water/M... However, when I go to the article...

01 November 2021 6,785 3 View

How to go from Tinker parameter file to GROMACS topology file for improper and proper dihedrals?

I have been playing with a polymer called glyme, and I have run Tinker analyze on it to get OPLS-AA parameters for it. I have attached the output parameter file to this post. My question is,...

22 April 2021 195 0 View

How to obtain parameters to run a simulation for benzene using CHARMM forcefield in GROMACS?

I have been reading this paper Soft Matter, 2017, 13, 1904 and in this paper, they simulate benzene in GROMACS using CHARMM. They mention that they performed simulations of benzene using the...

16 February 2021 5,910 3 View