OpenScience / Software



The Brenner Potential

Posted on February 23, 2001 by Dan Gezelter

C code for Brenner Potential Molecular Dynamics Find The Brenner Potential at: http://www.rahul.net/pcm/brenner/

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Posted in Molecular Dynamics | Leave a comment

AMMP Home Page

Posted on February 23, 2001 by Dan Gezelter

AMMP is a modern full-featured molecular mechanics, dynamics and modeling program. Find AMMP Home Page at: http://www.cs.gsu.edu/~cscrwh/ammp/ammp.html

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Posted in Molecular Dynamics | Leave a comment

nMOLDYN

Posted on February 23, 2001 by Dan Gezelter

nMOLDYN is a modular program package for the analysis of Molecular Dynamics simulations. It is especially designed for the computation and decomposition of neutron scattering spectra. Find nMOLDYN at: http://dirac.cnrs-orleans.fr/plone/software/nmoldyn/

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PARI-GP

Posted on February 23, 2001 by Dan Gezelter

PARI-GP is a software package for computer-aided number theory. Find PARI-GP at: http://www.parigp-home.de/

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Posted in Number Theory | Leave a comment

Fungimol

Posted on February 23, 2001 by Dan Gezelter

Fungimol is an extensible system for designing atomic-scale objects. The intent is to eventually extend it to be a useful system for doing molecular nanotechnology design work. At the moment it’s a PDB file viewer and Buckminsterfullerine editor. Find Fungimol … Continue reading →

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Posted in Theoretical and Computational | Leave a comment

Moldy

Posted on February 23, 2001 by Dan Gezelter

MOLDY is a parallelised OpenMP short-ranged molecular dynamics program, first written at Harwell Laboratory in the 1980s. The program is rewritten in a modular fashion to allow for easy user modification, in particular the implementation of new interatomic potentials. Using … Continue reading →

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Posted in Molecular Dynamics | 1 Comment

DomainFinder

Posted on February 23, 2001 by Dan Gezelter

a free interactive program for the determination and characterization of dynamical domains in proteins. Find DomainFinder at: http://dirac.cnrs-orleans.fr/DomainFinder/

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Posted in Biophysical | Leave a comment

Avida

Posted on February 23, 2001 by Dan Gezelter

Avida is an auto-adaptive genetic system designed primarily for use as a platform in Digital or Artificial Life research. In lay terms, Avida is a digital world in which self-replicating computer programs mutate and evolve. Avida allows the user to … Continue reading →

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Posted in Artificial Life | Leave a comment

DoD Planewave

Posted on February 23, 2001 by Dan Gezelter

A General Scalable Density Functional Code Find DoD Planewave at: http://cst-www.nrl.navy.mil/people/singh/planewave/v3.0/

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Posted in Ab Initio Quantum Chemistry | Leave a comment

MOSCITO

Posted on February 23, 2001 by Dan Gezelter

Moscito is designed for condensed phase and gas phase MD simulations of molecular aggregates. Standard molecular mechanics force-fields such as AMBER, OPLS, CHARMM and GROMOS can be employed. Simulations can be carried out in different ensembles such as NVE, NVT … Continue reading →

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Posted in Molecular Dynamics | Leave a comment