Hello,
I am doing some simulations with units set as real so the coordinates are specified in angstroms. But I am dumping the data in a xtc file which can be read by GROMACS. I am not sure whether the coordinates stored in the xtc file will be in angstrom or nm ( which is the default unit used by GROMACS).
Please let me know.
Thanks.
Apoorv
Graduate Student
University of Illinois at Urbana-Champaign
Hello,
I am doing some simulations with units set as real so the coordinates
are specified in angstroms. But I am dumping the data in a xtc file
which can be read by GROMACS. I am not sure whether the coordinates
stored in the xtc file will be in angstrom or nm ( which is the
default unit used by GROMACS).
the xtc file will be written using nanometers
exactly for the reason of staying consistent
with gromacs and other programs that implicitly
assume that xtc files are written by gromacs
and thus multiply coordinates by 10.0.
cheers,
axel.