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 Application Catalog |
GROMACS
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GROMACS is a versatile package used to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.
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Category: Life Sciences
Sub Category: Bio Informatics
Publisher: Department of Biophysical Chemistry, Groningen University
Date Published: March, 2007
Version: 3.3
Pricing:
License: Free under the GNU General Public License
Runtime: $1/CPU-hr.
What is a CPU-hr.?
A CPU-hr. is the aggregate CPU time spent across all machines, rounded up to the nearest hour (e.g., a task running on 1,000 CPUs for one minute = 1,000 CPU minutes or approximately 17 CPU hours, costing you only $17).
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Key Features
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- Though designed to calculate bonded interactions, GROMACS is extremely fast at calculating non-bonded interactions; many groups are also using it for research on non-biological systems, e.g. polymers
- GROMACS provides extremely high performance compared to other programs
- GROMACS comes with a large selection of flexible tools for trajectory analysis; you won't have to write any code to perform routine analyses
- GROMACS is user-friendly, with topologies and parameter files written in clear text format
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Description |
GROMACS is an engine to perform molecular dynamics simulations and energy minimization. These are two of the many techniques that belong to the realm of computational chemistry and molecular modeling. GROMACS is primarily designed for biochemical molecules like proteins and lipids that have a lot of complicated bonded interactions.
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Technical Information |
Developer Web Page |
Publisher Information |
Department of Biophysical Chemistry, Groningen University
Kerklaan 30
9751 NN HAREN
The Netherlands
Gromacs.org
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Pricing and Payment Information |
License: Free under the GNU General Public License
Order Information: N/A |
Support: |
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