amazingly informative content. Please how do I contact you. I am currently working on the prediction of ABS reinforced with nanoparticles and would really appreciate your guidance and assistance. Your prompt response would be highly appreciated
Hi Monisha....We use thermostat and barostat in NVT and NPT ensemble to keep the temperature and pressure of the system constant. In NVE ensemble , our system is isolated from the surroundings. It's used to check whether the system has reached the equilibrium state or not ( say constant temperature or pressure).
Right now, I don't provide any input script for molecular simulations. Although you can reach me at "vinayx.thakur@gmail.com" so we can discuss more about it.
Great video. Wonderful work. Thank you so much 👏👏👏
💯
What an excellent practical introduction to MD. Definitely will be sharing this with my students; thank you!
Thanks. It means a lot 🙏
Thank you for this great work. I'am acctually working on MD simulation for an oxide glass, I need an example of an input script.
great sir
What about NVE?
can i applied all ensemble in one simulation for example i will use NVE and NPT ?
amazingly informative content. Please how do I contact you. I am currently working on the prediction of ABS reinforced with nanoparticles and would really appreciate your guidance and assistance. Your prompt response would be highly appreciated
Email me at "vinayx.thakur@gmail.com"
I need input script for my work
I have some doubt sir. You talk about NPT and NVT ensemble. How about NVE ensemble simulation? How to select ensembles for our system?
Hi Monisha....We use thermostat and barostat in NVT and NPT ensemble to keep the temperature and pressure of the system constant. In NVE ensemble , our system is isolated from the surroundings. It's used to check whether the system has reached the equilibrium state or not ( say constant temperature or pressure).
@@Vinay192 thank you sir. One more doubt. Can I use only NVE simulation for my system (not biological system) and take results from it?
@@motivationtime6220 Thank you so much sir🙏
@@hingiesmonisha3038 I would say yes if the system has reached the equilibrium state.
What does non- numeric pressure, simulation unstable error in lammps mean. What can be done to remove this error.
I think you are putting 0 pressure, instead of you can put any value near to 0 like 0.001
I am working on Nanoindentation of graphene copper nano composite by using molecular dynamics simulation. I need input script for this work
Right now, I don't provide any input script for molecular simulations. Although you can reach me at "vinayx.thakur@gmail.com" so we can discuss more about it.
@@Vinay192 you know about this work?
You can make input script and elaborate this input script in your video
How can I send you some data? Any email or some else sourse?
@@sadafshahbaz6215 I would love to do this.
I need your help in my work on lammps
Okay...
Please help me