套件：libnblib-gmx-dev（2024.4-1 以及其他的） [debports]
GROMACS molecular dynamics sim, NB-LIB development kit
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.
The goal of NB-LIB is to enable researchers to programmatically define molecular simulations. Traditionally these have been performed using a collection of executables and a manual workflow followed by a “black-box” simulation engine. NB-LIB allows users to script a variety of novel simulation and analysis workflows at a more granular level.
This package contains header files for NB-LIB. For the legacy GROMACS API, see libgromacs-dev.
其他與 libnblib-gmx-dev 有關的套件
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- dep: libnblib-gmx0 (= 2024.4-1+b1)
- GROMACS molecular dynamics sim, NB-LIB shared libraries
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- rec: libgromacs-dev (= 2024.4-1+b1)
- GROMACS molecular dynamics sim, development kit
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- sug: gromacs (= 2024.4-1+b1)
- Molecular dynamics simulator, with building and analysis tools