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AMBER package

Modifications of the various versions of the AMBER parameter sets are implemented in numerous commercial and academic software packages. They are often referred to as AMBER. In every case, the user should read the documentation provided critically, and check the implementation by comparing the results of the implementation with original data. [Pg.352]

Molecular dynamics simulation package with various force field implementations, special support for AMBER. Parallel version and Xll trajectory viewer available. http //ganter.chemie.uni-dortmund.de/MOSCITO/... [Pg.400]

The energy functions for folding simulations include atom-based potentials from molecular mechanics packages [164] such as CHARMM [81], AMBER [165], and ECEPP... [Pg.289]

The GEMM software on the ST-100 is not a stand-alone package, and it requires a front-end simulation software package that runs on the host to provide data and to send command requests. It was designed and written with CHARMM (Chemistry at HARvard Macro-molecular Mechanics) (14) as the primary front-end, but additional software packages, such as AMBER (15), have subsequently been modified to drive GEMM. [Pg.125]

The resins are substances derived mostly from vegetable sources some have been used as binders in the preparation of paints and varnishes, others as incense burned in ritual ceremonies, and a few, such as amber, have been used on their own, as semiprecious stones. It should be noted, however, that since the midtwentieth century the term resin has acquired a new meaning that of a synthetic pliable "plastic" material that can be shaped, mostly when hot. Synthetic resins are used mainly for packaging and for making textile fibers and automobile parts. In the discussion that follows the term resin is used to refer only to resins of natural origin (Serpico and White 2000a Parry 1918). [Pg.328]

D. M. Ferguson, G. L. Seibel, and P. A. Kollman, AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules, Comp. Phys. Comm. 91 1 (1995). [Pg.35]

Although bromocriptine mesilate is sensitive to heat and light, it is stable for up to 3 years at ambient temperature (20) when stored in sealed polyethylene bags contained in twist-off amber glass bottles. In warm and tropical climate (30 °C/75 percent relative humidity) and under identical package conditions, it is stable for 1 year, however only for 3 months at 50 °C. [Pg.66]


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See also in sourсe #XX -- [ Pg.264 ]




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