Sander 8 Job Controls

Preparation of Job Control File for Sander-8
Download

Sander 8 Job Controls Ranking & Summary

Advertisement

  • Rating:
  • License:
  • Freeware
  • Publisher Name:
  • Dr. V. Vasilyev
  • Operating Systems:
  • Windows All
  • File Size:
  • 140 KB

Sander 8 Job Controls Tags


Sander 8 Job Controls Description

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. Sander uses namelists to control its general minimization and dynamics parameters. Namelist provides list-directed input, and convenient specification of default values. Sander 8 Job Controls is a Java program 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)".


Sander 8 Job Controls Related Software