Gromacs
Gromacs
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, lipids and nucleic acids 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.
Version: 5.0
Gromacs
From: Gromacs

Deployment Setting
Compute Node Config:
HPC Nodes:
1 Head * +
Compute
Storage Space:
Use RDMA:
Starts @ Rs.
 / Hour
For 
 CPU Cores
* Head node configuration is '4 core, 14GB RAM'. It manages and schedules services to the cluster.
Total cost is calculated as per actual usage on hourly basis. Optimal price will be applied automatically.


Description:

A Versatile Package To Perform Molecular Dynamics.


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, lipids and nucleic acids 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.