AMBER Archive (2009)

Subject: [AMBER] pairwise per-residue decomposition

From: manoj singh (mks.amber_at_gmail.com)
Date: Wed Oct 28 2009 - 23:34:32 CDT

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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