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 - 06:30:03 PST
