Minnesota - Gaussian Solvation Module


Date of most recent change to this software:   November 20, 2012

MN-GSM-v2012

Abstract

MN-GSM (Minnesota Gaussian Solvation Module) is a module for incorporation of the SMx solvation models and other enhancements into GAUSSIAN09 Revision C.01 and into MN-GFM version 6.2 and later.

MN-GSM adds the following new capabilities to GAUSSIAN:

  • Lowdin partial atomic charges
  • Redistributed Lowdin population analysis (RLPA) partial atomic charges
  • CM2, CM3, and CM4/CM4M Class IV charges for molecules in the gas-phase or liquid-phase
  • Calculation of the solvent-accessible surface area (SASA) of the atoms in a given solute
  • Generalized Born electrostatic solvation model using Lowdin or RLPA partial atomic charges
  • SM5.42, SM5.43, SM6, SM8, SM8AD, and SM8T solvation models
  • The SM12 and VEM(d) models are also available.
  • Availability and Distribution

    Our license does not permit distribution of modified GAUSSIAN code.

    Users Manual

    MN-GSM Users Manual in PDF format

    Density Functional Methods

    DFT methods available in GAUSSIAN03/09 and MN-GFM

    Minnesota Solvation Database

    version 2009

    Minnesota Solvent Descriptor Database

    PDF format or PostScript format

    References and links

    Comparison of solvation packages
    U of M Solvation Models and Software Home page
    Password-protected link for internal use

    This document last modified Tuesday, 20-Nov-2012 17:20:40 CST by Software Manager