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MKTOPTable of contents
MKTOP - is a tool for creating topologies for GROMACS. The force fields currently supported are AMBER03 OPLS-AA. MKTOP is a Perl script, therefore, all one need to run it is a Perl interpreter. ReferencesRibeiro, A. A. S. T.; Horta, B. A. C.; de Alencastro, R. B. J. Braz. Chem. Soc. 19, 1433-1435 (2008). |