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