软件包：libnblib-gmx-dev（2025.0~beta-1） [debports]
试制（Experimental）软件包
警告：这个软件包来自于 experimental 发行版。这表示它很有可能表现出不稳定或者出现 bug ，甚至是导致资料损失。请务必在使用之前查阅 changelog 以及其他潜在的文档。
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.
其他与 libnblib-gmx-dev 有关的软件包
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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