[gmx-users] query

amir zeb zebamir202 at gmail.com
Wed May 18 12:02:10 CEST 2016

Hello every one,

I wanna calculate binding energy between protein-ligand complex. I created
all the essential files like .xtc, .tpr, .ndx etc and also did download
pbsa.mdp file. i'm using the command "g_mmpbsa -f mmpbsa.xtc -s md.tpr -n
index.ndx -i pbsa.mdp -pdie 2 -pbsa -decomp" to get xvg as output file, but
i am getting comment like "Illegal instruction (core dumped)". I am using
gromacs version 5.0.6
can anyone please help me out?


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