Hi Dan,
Thank you so much. This helped a lot.
-Lauren
-----Original Message-----
From: Daniel Roe <daniel.r.roe.gmail.com>
Sent: Wednesday, June 2, 2021 3:10 PM
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] position coordinate precision
You can also use the ncdump tool (part of netcdf) to extract the coordinates directly.
On Wed, Jun 2, 2021 at 4:06 PM Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> On Wed, Jun 2, 2021 at 3:47 PM Lambach, Lauren
> <lauren-lambach.uiowa.edu>
> wrote:
> >
> > No matter what I try I can only get 3 decimal places. I would
> > imagine
> there is a way to print out more decimal places. Does anyone know how
> I can do this?
>
> This is because the Amber ASCII trajectory format is a fixed 8.3
> precision. You can use the 'highprecision' keyword to get 8.6, but be
> aware this format is much easier to overflow. If you need an ASCII
> format use either Amber restart, mol2, or charmm cor with the 'ext'
> keyword for extended precision.
>
> Hope this helps,
>
> -Dan
>
> >
> > Thanks in advance,
> > Lauren
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Wed Jun 02 2021 - 15:00:01 PDT
