BIGMAC Configurational Bias Monte Carlo (CBMC) is a recent technique to compute thermodynamic properties of flexible molecules. It has been used by several academic groups to study the adsorption behavior of linear and branched alkanes in zeolites and the vapor-liquid equilibrium of linear and branched alkanes. However, to the best of our knowledge, there is no commercial CBMC software available. For example, the SORPTION package form the popular Cerius2 software can only be used to simulate the adsorption behavior of rigid molecules. As many molecules are not rigid, this is an important limitation of Cerius2. The group of Prof. Berend Smit has developped BIGMAC, which is a general-purpose CBMC code. It is possible to download a trial version of BIGMAC, which only works for Linux Pentium PC's. This is a trial version with limited options which requires only little knowledge about the simulation technique. With this program one should be able to reproduce data of several recent articles by our group. A large manual about CBMC techniques is also included.

Current Version:   1.20 License Type:   free trial version, full version on request

Home Site: http://molsim.chem.uva.nl/bigmac Source Code Availability:   No Available Binary Packages: Debian Package:   No RedHat RPM Package:   No Other Packages:   Yes Targeted Platforms: Linux Software/Hardware Requirements: Intel Pentium; Linux

Other Links: http://molsim.chem.uva.nl Mailing Lists/USENET News Groups: None User Comments: A list of publication using BIGMAC can be found on http://molsim.chem.uva.nl/berend/articles/index.html See A Screen Shot? (Not Yet)

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