[gmx-users] gmx trjconv

Dhrubajyoti Maji dmaji43 at gmail.com
Fri May 3 06:44:46 CEST 2019


Dear All,
           I have converted a xtc file into gro file and then want to
analyse it with my own fortran code. The same calculation can be done with
gromacs commands from xtc file. My question is will I miss some sort of
data  if I use gro file as there is a precision issue between xtc and gro
file ? If there is data loss is it significant enough to produce erroneous
result?
Thanks and regards,
 Dhrubajyoti Maji


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