Re: [AMBER] Fwd: Normal Mode Analysis

From: David A Case <david.case.rutgers.edu>
Date: Tue, 22 Nov 2016 08:14:38 -0500

On Tue, Nov 22, 2016, Imma Speciale wrote:

> &nmode
> nmstartframe=1, nmendframe=2,
> nminterval=1, nmode_igb=0, nmode_istrng=0.1,
> /
>
> FATAL: allocation failure in ivector()

You don't have enough memory to complete the normal mode calculations. This
is not uncommon, as normal mode calculations need lots of memory...search the
mailing list archives for lots of hits on this.

....dac


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Received on Tue Nov 22 2016 - 05:30:04 PST
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