Re: [AMBER] Fwd: Normal Mode Analysis

From: Imma Speciale <i.spec88.gmail.com>
Date: Tue, 22 Nov 2016 15:33:07 +0100

I try it. Thanks for the advice!

2016-11-22 15:29 GMT+01:00 The Cromicus Productions <
thecromicusproductions.gmail.com>:

> Why don't you try nma in nab? In the manual, page 106 they explain how to
> do so.
> You have to write a code called "nma.nab" similar to the one they have by
> the end of that page and then nab nma.nab and done, you will get the
> frequencies and the eigenvectors as vecs. Then you rename them to vecs.pev
> and have to do a code to obtain pdb files for each
> http://citeseerx.ist.psu.edu/viewdoc/download?doi=10.1.1.
> 460.7407&rep=rep1&type=pdf
>
>
> On Tue, Nov 22, 2016 at 8:14 AM, David A Case <david.case.rutgers.edu>
> wrote:
>
> > 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 - 07:00:03 PST
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