Paketti: gromacs (2020.6-2)

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Kotisivu [www.gromacs.org]

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Molecular dynamics simulator, with building and analysis tools

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.

It is primarily designed for biochemical molecules like proteins and lipids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non- biological systems, e.g. polymers.

Tagit: Field: Biology, Structural Biology, field::chemistry, implemented-in::c, User Interface: Command Line, interface::graphical, interface::x11, Role: Program, Interface Toolkit: X library, X Window System: Application

Muut pakettiin gromacs liittyvät paketit

depends

recommends

suggests

enhances

dep: gromacs-data (= 2020.6-2)

GROMACS molecular dynamics sim, data and documentation
dep: libc6 (>= 2.7)

GNU-C-kirjasto: jaetut kirjastot
myös näennäispaketti, jonka toteuttaa libc6-udeb
dep: libgcc-s1 (>= 3.5)

GCC:n apukirjasto
dep: libgromacs5 (>= 2020.6)

GROMACS molecular dynamics sim, shared libraries
dep: libstdc++6 (>= 5.2)

GNU standardi C++ -kirjasto, versio 3
dep: libx11-6

X11 client-side library

rec: cpp

GNU:n C-esikäsittelijä (cpp)

sug: pymol

Molecular Graphics System

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