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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Received on Wed Sep 14 2011 - 09:30:02 PDT
