7 Questions 3 Answers 0 Followers
Questions related from Abhay Chauhan
I want to simulate polymer in water for that I have confusion in reduce units according my understanding of reduce units if we perform simulation in reduce units means we are make a generalize...
06 October 2024 9,701 2 View
It is possible to learn md simulation without any phd degree or advisor by learning form books and github tutorial and start own research in feild of material science and biochemisty and produce...
18 November 2023 1,518 2 View
I am try to md simulation of 30 NF3 molecules at 100000 atm using lammps but I don't able find force field parameter for md simulation.
17 November 2023 7,385 0 View
I mean which addition keyword I have to used in gaussian 16 to generate SES(solvent excluded surface) in pcm model..
22 January 2023 5,992 0 View
XP-PCM model is an extension of pcm model in xp-pcm model we have to change scaling factor and also add pauli repulsion .. So what key word I have to use to define these parameters in gaussian 16..
19 January 2023 1,323 0 View
If it is not applicable on gaussian then what is process to use it
05 January 2023 5,896 1 View
I want ask that to expand pcm model to XP-PCM model then I have to define pauli step repulsive potential(N) so which term or symbol I have to add in gaussian input file
01 January 1970 5,931 3 View
