Yes. Should I go for more minimization time?
Regards,
Abhijeet
On Thu, Sep 22, 2016 at 9:22 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Did you do any minimization/equilibration prior to your production run?
>
> -Dan
>
> On Thu, Sep 22, 2016 at 11:49 AM, ABHIJEET CHOWDHURY
> <f2013854.pilani.bits-pilani.ac.in> wrote:
> > Dear AMBER users,
> >
> > I am trying to simulate a 22 mer RNA duplex in an implicit solvent. After
> > few 100 picoseconds, SHAKE gets unstable and is unable to restrain the
> > structure. The message displayed on screen suggests this may due to some
> > deeper energitics problem. Can someone suggest where should I look for
> the
> > problem.
> >
> > Thank You
> >
> > Regards,
> > Abhijeet Chowdhury
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>
>
>
> --
> -------------------------
> Daniel R. Roe
> Laboratory of Computational Biology
> National Institutes of Health, NHLBI
> 5635 Fishers Ln, Rm T900
> Rockville MD, 20852
> https://www.lobos.nih.gov/lcb
>
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>
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Received on Thu Sep 22 2016 - 09:00:05 PDT
