Abhay Chauhan

6 Questions 3 Answers 0 Followers

Questions related from Abhay Chauhan

It is possible to learn md simulation without any phd degree or advisor by learning form books and github tutorial and start own research ?

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 1,515 2 View

How can i use openbabel to generate uff force field parameter?

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 7,381 0 View

How to use gepol algorithm in gaussian 16 to generate SES(solvent excluded surface)?

I mean which addition keyword I have to used in gaussian 16 to generate SES(solvent excluded surface) in pcm model..

22 January 2023 5,991 0 View

How to change Or add scaling factor and pauli repulsion in pcm model in gaussian 16?

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 1,322 0 View

How can i apply xp-pcm model in GAUSSIAN-16?

If it is not applicable on gaussian then what is process to use it

05 January 2023 5,895 1 View

How can i pauli step repulsive potential in gaussain 16?

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 5,930 3 View