[AMBER] nmode memory issue

From: amit dong <dongamit123.gmail.com>
Date: Mon, 21 Mar 2011 12:01:05 -0500


I am doing entropy calculations on a protein-ligand complex using nmode in
Amber11. I have MD done on a dimer complexed with ligand. My system has
~9500 atoms and I don't have enough memory to do the calculations. The
system crashes with an error (FATAL: allocation failure in vector() ).

I am planning to strip off one of the monomer. Is there any quicker way of
doing it without having to redo the MD with the monomer.

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Received on Mon Mar 21 2011 - 10:30:02 PDT
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