AMBER Archive (2004)

Subject: Re: AMBER: nmode

From: David A. Case (case_at_scripps.edu)
Date: Tue Sep 14 2004 - 18:13:14 CDT

On Tue, Sep 14, 2004, Carsten Detering wrote:

>
> I would like to perform an Nmode calculation of a protein.

It looks like your protein has 4655 atoms, so you will need a lot of memory.

> Total memory required : 292772756 real words

This implies that you will need access to 2.3 GBytes of memory (each real
work is 8bytes).

> ASSERTion 'ier == 0' failed in nmode.f at line 105.

This means that the program failed in its attempt to allocate memory for
you, because the needed amount was not available.

If you don't need the eigenvectors, you can reduce the memory required by
about a factor of 3 by setting ismem=1.

...hope this helps....dac

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