Convert 2D Atomic Structure to 3D One

[@bariskurt007]

Afer I watched this, I converted cdx fiile to 3d mol2. Thanks....(For cdx files first convert cdx to cdxml in chemdraw then open it in avagadro and convert it to 3d file, pdb or mol2 or whatever you want).

[@curiousways7827]

Thanks for this video, it helped me alot

[@lammpstube]

Good luck!

[@pailahemasainadh1690]

please do a video on finding young modulus and fracture strength using lammps or write the code

[@lammpstube]

You can visit below link for this purpose:
lammpstube.com/2020/12/04/deformation-mechanisms-of-polyethylene/

[@pailahemasainadh1690]

@@lammpstube thanq so much and where to find youngs modulus

[@lammpstube]

@@pailahemasainadh1690 The youngs modulus can be estimated by stress-strain curve slip calculation in linear part.

[@pailahemasainadh1690]

@@lammpstube noted and thanks

[@parthabiswas5212]

Dear Sir, How many times I have to run optimize geometry? Is there any limit?

[@lammpstube]

The geometry optimization process should be repeated until the atom's position doesn't change.

[@ketanchandra5593]

Sir, why did you optimize geometry multiple times? When converting a 2D structure to 3D, how many times should we optimize the geometry?

[@lammpstube]

The geometry optimization process should be repeated until the atom's position doesn't change.

[@ketanchandra5593]

@@lammpstube Okay sir. Thanks a lot for the prompt response. Really appreciate it!

[@lammpstube]

@@ketanchandra5593 Good luck!