AMBER Archive (2009)

Subject: Re: [AMBER] pairwise per-residue decomposition

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Thu Oct 29 2009 - 05:20:55 CDT

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_at_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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