MKTOP: a program for automatic construction of molecular topologies
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.
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| Main Authors: | , , |
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| Format: | Digital revista |
| Language: | English |
| Published: |
Sociedade Brasileira de Química
2008
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| Online Access: | http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532008000700031 |
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