[gmx-users] why deltaG=0?

Albert mailmd2011 at gmail.com
Sun Jun 8 09:39:08 CEST 2014


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:

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


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