The best approach would be to use binary (netcdf) format.
On Wed, Jun 2, 2021, 3:47 PM Lambach, Lauren <lauren-lambach.uiowa.edu>
wrote:
> Hi Amber users,
>
> I am trying to reproduce the Amber forces from my own calculations. I am
> very close, but I have determined that the discrepancies are from the lack
> of precision in the position coordinates of the atoms. I have tried using
> cpptraj with my input file:
> parm nacl.parm7
> loadcrd mdprod.nc name Crds
> precision Crds 4.10
> crdout Crds coords.dat
>
> 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?
>
> Thanks in advance,
> Lauren
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Received on Wed Jun 02 2021 - 14:00:02 PDT
