套件：libnblib-gmx-dev（2025.0~beta-1） [debports]
試製（Experimental）套件
警告：這個套件來自於 experimental 發行版。這表示它很有可能表現出不穩定或者出現 bug ，甚至是導致資料損失。請務必在使用之前查閱 changelog 以及其他潛在的文件。
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 (= 2025.0~beta-1)
- GROMACS molecular dynamics sim, NB-LIB shared libraries
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- rec: libgromacs-dev (= 2025.0~beta-1)
- GROMACS molecular dynamics sim, development kit
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- sug: gromacs (= 2025.0~beta-1)
- Molecular dynamics simulator, with building and analysis tools