• SCIGRESS新功能升級
    New functions are below:
     
    CONFLEX:
    * Dynamic Reaction Coordinate (DRC) Method
    * Conformation Search invoking Gaussian program
    * Parallelization of Crystal Structure Optimization using OpenMP
    * Hybrid parallelization of Crystal Search using OpenMP/MPI
     
    Interface:
    * Support for new features of CONFLEX 8
    * Accelerated drawing of molecule by using OpenGL SL
    * Animation for vibrational mode
    * Displaying crystal surface by (h,k,l) indices
     
    Currently, we are preparing our new website.
     
     
    Now CONFLEX8 has 2 kinds of product, Basic and Pro version.
     
    Basic version includes the following features:
    *Geometry Optimization using Molecular Force Field
    *Conformational Space search
     
    Pro version includes the following features:
    *Geometry Optimization using Molecular Force Field
    *Conformational Space search
    *Molecular Crystal structure calculation and search
    *Molecular Crystal Surface analysis
    *Invoke external Gaussian 09/16 program for geometry optimization
    *Dynamic Reaction Coordinate (DRC)
    *Host - Ligand coordination search
    *Solvent Effect
    *CD/UV/Vis Spectrum analysis
    *Parameter configuration
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