[gmx-users] trjconv ndec not working
ericsmoll at gmail.com
Sun Apr 15 04:53:13 CEST 2018
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?
More information about the gromacs.org_gmx-users