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Bio.B-Gen

Initial system (box) generator for biological molecular simulations

"Bio.B-Gen" is a command line tool to generate initial systems for biological molecular simulations. "Bio.B-Gen" was mainly designed to be used with the GROMACS molecular dynamics simulation package (http://www.gromacs.org). "Bio.B-Gen" depends on the GROMACS topology and force field information (.top and .itp data files) during the generation stage. "Bio.B-Gen" adds specified number of copies of a molecule to an existing configuration to a specified spacial domain inside the system, such as a sphere, cube, spherical shell, layer, etc. ...

Downloads: 0 This Week

Last Update: 2015-02-08
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