Satyen Dhamankar

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Questions related from Satyen Dhamankar

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 6,726 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 140 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 5,794 3 View