Thanks for the tutorial. Sir canyou guide regarding MD simulations of protein ligand complex and complete analysis including MMGBS,MMPBSA and PCA and pearson correlation analysis.
Very good video regarding the basic understanding of LAMMPS. How to use the LAMMPS for fracture geometry and propagation studies in rock with reference to peridynamics simulations? Thanks
great! thx! the in.flow.couette.lmp.bak file is missing when i uncomment the 68th line like you do and save it to run again. there is just three files left while yours is four before VMD visulization. why?and how to solve it?
Great video! Thanks! I have a short question: Is there any reason why the 'lmp -in filename.lmp' command does not work but 'lmp_serial -in filename.lmp' does work? Does this change anything of the simulation routine?
No, lmp.exe or lmp_serial runs your input file either using parallel computing or single core, so the results are the same except the calculation time. Usually, parallel computing is faster than serial (single core) computing. Hope this helps.
Amazing! It is informative and really helpful. Is it fine to run LAMMPS in an i3 processor system, or better like i7/32 GB RAM device is needed (like those useful for GROMACS)?
Hey, Really helpful video. Kudos!! I just have one small problem. The VMD app doesn't open. It tries opening the "OpenGL Display" window for 10 seconds and then closes. Any idea why it might be happening?
@@mr.stemedutv5514 VMD itself is not opening....donno what is wrong in installation...have followed all steps....is there any other reqd like graphic card or so?
