Sander 8 Job Controls

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  • Publisher:
    sf.anu.edu.au/~vvv900
  • File Size: 139.41 KB
  • Date: Oct 01, 2010
  • License: Freeware
  • Category:
    Calculator
    Office
Sander 8 Job Controls Download
Free Download Sander 8 Job Controls

Sander 8 Job Controls is a preparation of Job Control File for Sander-8. Sander is the AMBER module which carries out energy minimization, molecular dynamics, and NMR refinements. The acronym stands for Simulated Annealing with NMR-Derived Energy Restraints, but this module is used for a variety of simulations that have nothing to do with NMR refinement.

Variables for the general Sander minimization and dynamics parameters are listed in a namelist statement with the namelist identifier &cntrl. You can enter the parameters in any order, using keyword identifiers. Variables that are not given in the namelist input retain their default values.

A Java program has been written to facilitate preparation of input job control files for Sander-8 . It uses intuitive controls to setup job control variables for Sander run. In many cases instead of variable's name it uses variable's description. For example, for variable NSTLIM it uses "Number of MD Steps (nstlim)".

Requirements:
* Java

The license of this software is Freeware, you can free download and free use this calculator software.

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