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- From: naoursla@eos.ncsu.edu (NORMAN ALAN OURSLAND)
- Newsgroups: sci.nanotech
- Subject: Molecular Modelling
- Message-ID: <Jan.21.23.04.26.1993.5293@planchet.rutgers.edu>
- Date: 22 Jan 93 04:04:27 GMT
- Sender: nanotech@planchet.rutgers.edu
- Organization: North Carolina State University, Project Eos
- Lines: 22
- Approved: nanotech@aramis.rutgers.edu
-
-
- [Although I do not share Mr. Dunphy's pessimism, I second his proposal
- empahtically... Before we can do this in more than a handwaving
- way, however, we need molecular simulation software. Does anyone know of
- any usable PD codes, or is there any interest in a sci.nanotech-based
- collaboration to produce such a beast?
- --JoSH]
-
- This is one of the big obstacles stated by the Foresight Institute (at least I
- think remember reading in one of their newsletters). The problem is that a
- molecular scale machine runs on the order of 5,000,000 atoms (is that the right
- magnitude? I'm thinking about that arm in NanoSystems). Anyways, computers
- available to the general public simply aren't powerful enough for this amount
- of computation, thus there is no software to use.
-
- Alan
-
- [I think you need a system that can operate at a higher level of abstraction
- than the ones that are used to do chemistry. If we know that a diamondoid
- structure acts like an elastic solid with certain parameters, the system
- should treat it as such (for example).
- --JoSH]
-