Molecular Dynamics

Commercial/ Proprietary Packages

Free or Open Source

  • DL_POLY-2 v2.20

  • DL_POLY-3 v3.10

  • gromacs Available versions: 3.3.1-r1 ~3.3.3 4.0.4 4.0.5!t {3dnow X altivec bash-completion blas debug dmalloc doc double-precision fftw fkernels gsl lapack mpi single-precision sse sse2 static test xml zsh-completion} Homepage: http://www.gromacs.org/ Description: The ultimate molecular dynamics simulation package

  • tinker Available versions: ~*4.2-r1 {X debug} Homepage: http://dasher.wustl.edu/tinker/ Description: TINKER is a molecular modeling package that includes force fields for handing large molecules and large systems, such as AMBER and CHARMM. A Java based visualization front end is included.

-- RobAllan - 07 Dec 2009

Topic revision: r2 - 08 Dec 2009 - 10:57:05 - RobAllan
 
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