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Hippo


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Hippo is a software package for simulation and analysis of bio-molecules at an atomic level. It has been specifically developed for very efficient protein folding studies in aqueous and membrane environments. The code is very fast due to optimized and hand-coded assembly routines which make use of fast multi-media instructions on modern x86 cpus. Hippo is (partially) parallelized (using industry-standard OpenMP).

Simulation methods:
Molecular dynamics (MD) in NVT, NPT, NVE ensembles
Metropolis Monte Carlo (MC) in NVT and NPT ensembles
Replica exchange with MD and MC

Force fields:
OPLS-AA

Solvation models:
explicit solvent (water: TIP4P , SPC )
Generalized Born implicit solvent (GB/SA)
Generalized Born implicit membrane (GB/IM)

Enhanced productivity:
A number of features make it easy to use Hippo so that one can spend more time on working on problems and less time on setting up structures or dealing with system crashes:
seamless restarts
intelligent pdb structure loader: reads most pdbs, can complete missing atoms, and builds the topology graphical frontend under development (Windows only)

Analysis

http://www.biowerkzeug.com/



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