g_mmpbsa
MM/PBSA method for GROMACS.
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This project is maintained by
RashmiKumari
Introduction
Installation
How to run?
Tutorials
Usage
Parameters
Input Keywords for 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
Input Keywords for Non-polar Solvation energy
apolar
SASA model
gamma
sasaconst
sasrad
SAV model
press
savrad
savconst
WCA-like model
WCA
wcarad
bconc
dpos
grid
APsdens
APsrfm
APswin
APtemp