Abstract
Molecular mechanics methods are widely-used for simulations of biomolecules. A molecular topology file containing all atom types, which depend on the chemical environment, must be constructed. MKTOP is a free-software capable of automatic atom type recognition and construction of molecular topologies for GROMACS, being a useful tool for its users. ©2008 Sociedade Brasileira de Química.
Author supplied keywords
Cite
CITATION STYLE
APA
Ribeiro, A. A. S. T., Horta, B. A. C., & De Alencastro, R. B. (2008). MKTOP: A program for automatic construction of molecular topologies. Journal of the Brazilian Chemical Society, 19(7), 1433–1435. https://doi.org/10.1590/S0103-50532008000700031
Register to see more suggestions
Mendeley helps you to discover research relevant for your work.
Already have an account? Sign in
Sign up for free