[ sid ]
软件包：libnblib-dev（2021.4-2） [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 classical GROMACS API, see libgromacs-dev.
其他与 libnblib-dev 有关的软件包
|
|
|
|
-
- dep: libnblib0 (= 2021.4-2)
- GROMACS molecular dynamics sim, NB-LIB shared libraries
-
- rec: libgromacs-dev (= 2021.4-2)
- GROMACS molecular dynamics sim, development kit
-
- sug: gromacs (= 2021.4-2)
- Molecular dynamics simulator, with building and analysis tools
- 或者 gromacs-mpi (= 2021.4-2)
- Molecular dynamics sim, binaries for MPI parallelization