How can we operate Monte Carlo molecular simulations? I have no idea about this operation, kindly assist me step by step.
I think for beginners Qwik MD which a part of VMD package by the University of Illinois can be really useful as it is the most user-friendly, free and runs on windows. It morbidly slows down your windows during it's running time. So please use a dedicated system if possible.
Rajesh, I and my co workers implemented Monte Carlo simulation packages. Please contact Prof. Dr. Ulrich Deiters at [email protected] for having the software.
This is a very vague question. If you want better answers then explain the particular system related to your project in detail.
Dear Rajesh,
You asked about MD simulation in the title of your question and in details, you asked about MC simulation so I think you actually need MC method.
If you are in doubt about your method look at this link :
http://cmt.dur.ac.uk/sjc/thesis_dlc/node58.html
The first thing you should figure it out is your domain of work (classical physics or quantum).
Next, you should find a proper simulation package ( of course you can write your own code but if you are working on MC for the first time, I don't recommend it. It's gonna take a lot of time.)
A brief common list of MC packages (both free and commercial packages):
https://en.wikipedia.org/wiki/List_of_software_for_Monte_Carlo_molecular_modeling
For further steps, you should give us more information about your project.
Best regards.
Mohammadreza Niknam Hamidabad
First you read some standard text books like Allen and Tildesley, Frenkel and Smit.
Then try to write codes. This way you can understand things better.
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