|
Conference publicationsAutomated modeling of dynamics polymeric molecules with automatic output of the equations in Lagrange formMoscow The main ideas offered within the framework of a new method for realization of numerical experiment on modeling of the macromolecule dynamics are as follows: consideration of a macromolecule system as a uniform mechanical system, representation of a structural part of mathematical model of mechanical system as a graph and analysis of changes in the graph topology in time, use of the generalized coordinates for the description of the system dynamics, automatic output of the equations describing the system and their dynamic change. |
