g_mmpbsa

Contents

  • Download and Installation
  • Getting started with MM/PBSA calculation
  • g_mmpbsa commands
  • Solvation Energy Parameters
    • Polar Solvation energy
    • Non-polar Solvation energy
  • Tutorials
  • Change log
g_mmpbsa
  • Solvation Energy Parameters
  • View page source

Solvation Energy Parameters

Contents

  • Polar Solvation energy
    • polar
    • cfac
    • fadd
    • gridspace
    • gmemceil
    • PBsolver
    • mg-type
    • pcharge
    • prad
    • pconc
    • ncharge
    • nrad
    • nconc
    • pdie
    • sdie
    • vdie
    • srad
    • swin
    • srfm
    • sdens
    • temp
    • chgm
    • bcfl
  • Non-polar Solvation energy
    • apolar
    • SASA model
      • gamma
      • sasaconst
      • sasrad
    • SAV model
      • press
      • savrad
      • savconst
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© Copyright 2025, Rajendra Kumar, Rashmi Kumari.

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