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1

Dear Sir,
when I open the dumped files in OVITO my molecules aren’t moving. Only the atoms are moving about their mean fixed positions.
They should move in the box however that is not happening.

new1.in (1.33 KB)

2
3

Dear Sir,
This is the file for which there is no movement observed for molecules in OVITO.Best Regards,
Dhananjay Dileep

new1.in (1.33 KB)

4

Dear Sir,
This is the file for which there is no movement observed for molecules in OVITO.

there is no MD in that input. only a minimization. LAMMPS does what you ask it to do. you need some tutoring from a person that knows and understands MD simulations. this mailing list cannot do this for you.

axel.

axel.

5

Dear Sir,
I have assigned velocity to the particles but they aren’t still not moving which I am not able to comprehend.
Best Regards,
Dhananjay Dileep

6

Dear Sir,
I have assigned velocity to the particles but they aren’t still not moving which I am not able to comprehend.

that is exactly why i suggested you get some tutoring from somebody that knows MD since you obviously have insufficient training in this matter and because of that, you don’t understand what i am telling you. explaining this over e-mail is tedious and inefficient and i don’t have the time or interest to do that.

axel.

7

Dear sir,

It is obvious that you should trying to find some good tutorial document. I believe research is conduceted by own yourself. Nobody can do your research instead of.

I will give a some very very little tips for you, as I did few months before :slight_smile:

  1. Google it.
  • “LAMMPS tutorial”, “molecular dynamics tutorial” is good starting keyword to dive into molecular dynamics.
  • I recommend a tutorial that hosted in[

](https://icme.hpc.msstate.edu/mediawiki/index.php/LAMMPS_tutorials)

  1. Read some documents.
  • Basic knowledge about melecular dynamics from textbook.
  • Program operation always starting from documents.
  • Combination between “basis that underlying molecular dynamics” and “technique and codes” starting from some well-made simulation script. You may obtain this from technical report from research lab(ie, ARL technical reports) or research publication, or tutorial documents.
  1. Revise your script.
  • You should figure out very easily about your errors.
  1. Run your simulation
  • Your simulation likely yields a good result. HOWEVER, you may face some technical issues like a bug. Then, use this mailing list.
  • If you don’t have any confidence that related with your simulation, find your research advisor.
  • READ THE DOCS! ALWAYS!!

Sincerely,
Lee.

2019년 3월 9일 (토) 오후 11:14, DILEEP DHANANJAY <16bch013@…8234…>님이 작성: