No It works , I was only concerned about the use of a topology file without
box information.
Thanks
kirtana
On Wed, Sep 14, 2011 at 12:00 PM, Bill Miller III <brmilleriii.gmail.com>wrote:
> This looks like it should work. Have you had any problems with it?
>
> -Bill
>
> On Wed, Sep 14, 2011 at 11:02 AM, kirtana S <skirtana4.gmail.com> wrote:
>
> > I am running pbsa (enthalpy calcualtions )
> >
> > MMPBSA -O -i pbsa.in -o energy_final.dat -sp solv.prmtop -cp vac.prmtop
> -y
> > mdcrd
> > My simulations are in periodic boundary conditions, my vac.prmtop is only
> > for my solute
> > and this does not have my box information.
> > I want to calculate only for my complex , so is this I should use it.
> >
> > Thanks and appreciate any suggestion
> > Kirtana
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> >
>
>
>
> --
> Bill Miller III
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-6715
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>
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Received on Wed Sep 14 2011 - 10:00:02 PDT
