All of your questions on this site are answered by reading Frenkel & Smit or Allen & Tildesley. They are the authorities. — B. Kelly May 22 at 14:06

@B.Kelly, Frenkel & Smit --- definition not found in the book. — user366312 May 22 at 14:35

Rather than asking 100 specific questions, learn a few concepts. The specifics will be answered. — B. Kelly May 22 at 15:22

Terminology tag can also be used. — Nike Dattani 2 days ago

@B.Kelly I disagree that any questions whose answer can be found in books shouldn't be posted for several reasons. First of all this is Stack Exchange and the scope should not be limited to only things that fall through the cracks, second: your references are 20 and 30 years old and the concepts of modeling and simulation have certainly evolved, and third the types of matter that can be discussed here in matter modeling SE may be broader than what those authors chose to write about back then. The question is fine and there's no need for manufactured indignance directed at the OP. — uhoh yesterday

@B.Kelly finally, there can certainly be different points of view on this question and just because those texts are wonderful does not mean they will forevermore be the absolute final word on every point they touched on. They would however be excellent supporting sources for Stack Exchange answers if the appropriate block quotes were located. "It's in there somewhere" doesn't really help anyone; once they're quoted in an answer any shortcomings or terminology evolution in the intervening decades can better be examined. — uhoh yesterday

@B.Kelly also "learn a few concepts" suggests the OP doesn't know any, and I think the tone is not good. — uhoh yesterday

@B.Kelly finally, there can certainly be different points of view on this question and just because those texts are wonderful does not mean they will forevermore be the absolute final word on every point they touched on. They would however be excellent supporting sources for Stack Exchange answers if the appropriate block quotes were located. "It's in there somewhere" doesn't really help anyone; once they're quoted in an answer any shortcomings or terminology evolution in the intervening decades can better be examined. — uhoh yesterday

@SRMaiti, could you narrow it down, maybe talk about a specific issue about biomolecular modeling? - I am asking for a formal definition of the terms. For example, the definition of a "mammal" doesn't differ in the case of a bovine, rodent, or canine. — user366312 yesterday

@uhoh this comment section has had entries edited since I wrote my comments. Thanks for your input. Perhaps I was short. I have helped the OP on several other questions. I have noticed that they are unaware of many very basic things, and in my opinion, their very specific questions do not help with the missing underlying fundamentals. it is like asking questions about multi-variable integration before learning the Fundamental Theorem of Calculus. That is all I meant. — B. Kelly yesterday

@B.Kelly, With due respect, I think you are defeating the whole purpose of the existence of a Q&A forum like this. If I know everything, then there is no point in me coming to this website and asking questions. Besides, I already wrote that your given books don't contain the definitions I am asking for. — user366312 yesterday

Your questions are largely unanswered. That is not common. This means other users have not felt like answering them, despite their ease of answering. Perhaps it is worth pondering why? Is it evident from the questions that you have done your due diligence? — B. Kelly yesterday

Have you found sources describing Modelling and/or Simulation that have conflicting definitions? What work have you done? — B. Kelly yesterday

@B.Kelly, No. But, the definitions I found don't reflect molecular biology or related fields. E.g. Principles of Modeling and Simulation A Multidisciplinary Approach (edited by John A. Sokolowski and Catherine M. Bank) contains those definitions. However, I am not sure if they are applicable for molecular or biomolecular modeling. — user366312 yesterday

That is an excellent question. If you add the quotation of their definitions, that would make it about as good as it can get. — B. Kelly yesterday