44:48 -0400
> Von: "Justin A. Lemkul"
> An: Discussion list for GROMACS users
> Betreff: Re: [gmx-users] crude interaction energy using g_energy
>
>
> On 5/27/12 8:41 PM, sai nitin wrote:
> > Dear all,
> >
> > Recently i performed two 15ns simula
On 5/27/12 8:44 PM, Justin A. Lemkul wrote:
On 5/27/12 8:41 PM, sai nitin wrote:
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 component
On 5/27/12 8:41 PM, sai nitin wrote:
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 = +
. ...I got two Eints for two simu
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 =
+ . ...I
got two Eints for two simulations
1) Eint = -51.003 Kcal/mol (firs
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