maybe you could try a test on a smaller system to see if it's really a
memory limit.
On Thu, Oct 29, 2009 at 12:34 AM, manoj singh <mks.amber.gmail.com> wrote:
> Hi all,
>
> I am trying to do pairwise per-residue decomposition of MM-GBSA binding
> free
> energy for a protein ligand system. My calculation is crashing (the
> computer
> stop responding) on the "=>> Calc delta from raw data", probably due to the
> memory issue. I will be very thankful if some one can tell me a fix of this
> problem.
>
> Manoj
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>
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Received on Thu Oct 29 2009 - 03:30:04 PDT
