[gmx-users] trjconv ndec not working
e.jjordan12 at gmail.com
Sun Apr 15 12:00:49 CEST 2018
Are you trying to write from an xtc file? If so, does it have the necessary
On Sun, Apr 15, 2018 at 4:53 AM, Eric Smoll <ericsmoll at gmail.com> wrote:
> Hello Gromacs Users,
> I am using Gromacs 2018.1.
> The manual page for gmx trjconv states the number of decimal places in the
> output of a gro file is taken from the number of decimal places in the
> input unless the ndec flag is set. The ndec flag can be used to increase
> precision in the output.
> However, providing trjconv a gro file with increased coordinate precision
> (7 decimal places) does not increase the precision of the output gro file.
> Also, the ndec flag has no impact on the output precision.
> My input gro is written as follows:
> 1ABC C1 1 -0.1204914 -0.0759159 -0.0131147
> trconv does not complain about this file format and creates a normal, three
> gro file as output.
> Has this feature been removed?
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