diff --git a/TMA_PY3.py b/TMA_PY3.py index c298a17..511c69c 100644 --- a/TMA_PY3.py +++ b/TMA_PY3.py @@ -141,6 +141,8 @@ def MergeGROMACSTrajectories(self): print("Merging both trajectories into one and generating .xtc...") print("---------------------------------------------------------") + # For GROMACS 2019.1 http://manual.gromacs.org/current/onlinehelp/gmx-trjcat.html + os.system("gmx trjcat -f %s %s -o NewMergedTrajectory.xtc" % ( xtc1, xtc2))