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GROMACS

GROMACS

Categories for this software:

Computational Chemistry

What is GROMACS

The development of GROMACS is variety of molecular properties, ranging from simple dipole moments to frequency dependent hyperpolarizabilities may be computed. Many basis sets are stored internally, and together with effective core potentials, all elements up to Radon may be included in molecules. Several graphics programs are available for viewing of the final results. The development of GROMACS is mainly funded by academic research grants. The software is released under the GNU GPL.

XML Query for GROMACS	You can query this information from an XML server. The queries can be constructed in several ways. all versions at this site all versions at all sites See our XML software query help pages for more details.
Hosts where GROMACS is installed at VPAC	Select more details to find out specific details of how to run the software on that host. Selecting the hostname will provide details about the host.
	Location Details about System Version Default (Suggested) More Details Notes   Installed     VPAC / Vic tango.vpac.org 4.0.7 How to Use    4.0.5 How to Use    4.0.2 How to Use    3.3.3 How to Use    edda.vpac.org 3.2.1 How to Use    3.3.1 How to Use
Other Australian HPC Centres where GROMACS is installed
	Location Details about System Version Default (Suggested) More Details Notes   Installed     NCI National Facility @ ANU vayu.nci.org.au 4.0.2 How to Use    xe.nci.org.au 4.0.2 How to Use    INTERSECT mclaren.ac3.edu.au 4.0.5 How to Use Access Prerequisite    iVEC / WA cognac.ivec.org 3.3.2 How to Use    3.3 How to Use    xe.ivec.org 3.3.3 How to Use    Griffith University (QCIF / Qld) r1n01e.qpsf.edu.au -- How to Use    UQ (QCIF / Qld) gust.hpcu.uq.edu.au 3.3 How to Use    3.2.1 How to Use    storm.hpcu.uq.edu.au 3.3 How to Use    3.2.1 How to Use    cyclone.hpcu.uq.edu.au 3.3 How to Use    3.2.1 How to Use

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