AMMP
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AMMP is our local molecular mechanics and dynamics program. AMMP is a fully featured molecular modeling program. AMMP is a modern full-featured molecular mechanics, dynamics and modeling program. It can manipulate both small molecules and macromolecules including proteins, nucleic acids and other polymers. In addition to standard features, like numerically stable molecular dynamics, fast multipole method for including all atoms in the calculation of long range potentials and robust structural optimizers, it has a flexible choice of potentials and a simple yet powerful ability to manipulate molecules and analyze individual energy terms.
One major advantage over many other programs is that it is easy to introduce non-standard polymer linkages, unusual ligands or non-standard residues. Adding missing hydrogen atoms and completing partial structures, which are difficult for many programs, are straightforward in AMMP.
It is written in C and has been ported to many different computers. The source code is available under the GNU "copyleft" so that it is easy to follow exactly what the program is doing. Another major advantage over commercial software is that AMMP can be easily included in another program to supply molecular mechanics function.
The program and modeling methods are under active development. User feedback is appreciated and incorporated in the program. A graphical interface is available for Linux and Unix with the openGL graphics language and for Windows.
AMMP Features:
1. Fast long range electrostatics and nonbonded terms. AMMP runs without cutoffs in times comparable to or better than an 8 Angstrom cutoff in other programs.
2. Stable, numerically accurate, molecular dynamics. AMMP is stable with difficult problems such as parallel stranded DNA. (shown with its Na counterions below).
3. Flexible choice of potential functions. In addition to standard formulations, AMMP has non-point charges, explicit Debye screening, accurate polarization models, non-harmonic bond and angle formulations, and coupled bond-angle terms available.
4. Calculates partial charges for new molecules
5. Embeding and homotopy methods for rapid model building.
6. Self-contained, and can be embeded in other programs
7. Highly parallel version available with PVM
8. Literature citations for AMMP
9. Quality of the AMMP sp4 potential set
10. Quality of the AMMP sp5 potential set
11. Nifty windows tricks with AMMP
The license of this software is Free, you can free download and free use this calculator software.