Intro to Molecular Dynamics Simulation using LAMMPS

[@dallysinghson5569]

Thank you for this wonderful video, I had it running in the background on my computer to make it look like I was smarter than I actually am :)

[@special1_28]

To learn, start watching from 102.50 mins.

[@KurosakiIchigo-w1m]

the presentation is not working!, can we make crack propagation in EAM method? because lj/cut is used to make crack...?

[@muhammadfarid3367]

well done!! dear sir, im still learning using lammps. can u show how to make water flow through rough surface simulation?? your help is greatly appreciated. thank you.

[@WestDRI]

Hello Muhammad - sorry for the delay in response. Have you tried contacting [e-mail]? If you send your question there, one of our Support Team members could help you with using lammps and can answer any other questions you may have. Thank you!

[@ahemeda06]

Did you get what you want? I am a new user as well and I wish, if you got any feedback please to let me know my email is [e-mail] Thanks,

[@jikai3508]

Did you get what you want? I am also a new user as well and I wish, if you got any feedback please to let me know. my email is [e-mail].

[@science_10523]

for lammps program can we take positions from any other input file? files can be generated from other software. i can not call the input files in lammps program. can anyone help me.

[@MsPonyChick]

if you want an input file for lammps it has to have specific structure however you can generate it from pdb file or xyz file. To do such thing you will need VMD with TopoTools plugin. After you have those you need to read xyz file into vmd and using "topo writelammpsdata " you get lammps file which you can then read into lammps using read_data command

[@science_10523]

thank you for reply. i am able to call the data. but now i am facing another problem. by position and potential file format are not matching. can you tell be about the lammps file format of position and potential ?

[@MsPonyChick]

For data file with atom positions you can see the structure by googling "lammps data file format", it's provided by sandia, simply write it in the notepad and save as a txt file (ANSI coding), it works for me. For the exemplar potential file you can check online as well, however the extension of file is changing. For example AIREBO potential file in the lammps repository is CH.airebo so I guess it depends on the chosen potential, but I'm no expert in those.

[@science_10523]

thank you very much

[@anastasiiateplinskaia4300]

Could you please improve the sound quality? It is very difficult to listen to.

[@WestDRI]

Thank you for your comment. Unfortunately we are unable to improve the existing sound quality for this archived video. You may find some of our other videos, posted on our Training Materials website, more helpful / of better quality: westgrid.github.io/trainingMaterials/

[@maninikovatrouvski5391]

nice job really

[@AlexandreAbruzzi]

Good job! Ty

[@raqshiqishraaq8740]

the teacher stammers too much