JSON

GROMACS top

^ http://edamontology.org/format_3880


GROMACS MD package top textual files define an entire structure system topology, either directly, or by including itp files.

Term info

Subsets

formats, edam

Created in

1.22

Documentation

http://manual.gromacs.org/documentation/2018/user-guide/file-formats.html#top

comment

There is currently no tool available for conversion between GROMACS topology format and other formats, due to the internal differences in both approaches. There is, however, a method to convert small molecules parameterized with AMBER force-field into GROMACS format, allowing simulations of these systems with GROMACS MD package.