[gmx-users] why deltaG=0?

[Albert]

Hello:

I am using g_lie to evaluate my ligand binding affinity with command:

g_lie_mpi -f ener.edr -e 10000 -ligand POC


but I get following results:


Opened ener.edr as single precision energy file
Using the following energy terms:
LJ:
Coul:

Back Off! I just backed up lie.xvg to ./#lie.xvg.2#
Last energy frame read 8114 time 10253.000
DGbind = 0.000 (0.000)

gcq#165: "Welcome to the Power Age" (2 Unlimited)


I am just wondering what's happennig?

thx a lot

Albert