[gmx-users] crude interaction energy using g_energy

sai nitin sainitin7 at gmail.com
Mon May 28 02:41:22 CEST 2012

Dear all,

Recently i performed  two 15ns simulation of  protein-ligand systems using
gromacs of my interest...and using g_energy tool..i calculated crude
interaction energy based on short-­‐range energy components Eint =
<ELJ> + <ECoul>. ...I
got two Eints for two simulations

1) Eint = -51.003 Kcal/mol (first simulation)
2) Eint = -26.615 Kcal/mol (second simulation)

Can anybody tell me what meaning can i make out of it...means is first
simulation is more stable than second one..or vice versa...

Thanks in advance


Sainitin D
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