[gmx-users] trjconv and trjcat

fsaadedi at staffmail.ed.ac.uk fsaadedi at staffmail.ed.ac.uk
Mon Oct 24 13:06:38 CEST 2005

Dear Users,

I ran a simulation which crashed.  As a result I have restarted the simulation
and now I have have two .trr files.

The first trr file that crashed about 1480ps.
The second trr file starts from 1300ps to 5000ps.

If I want to create one trr file without any conflicting timeframes what order
do I need to run the programmes in?  trjconv/trjcat or trjcat/trjconv?

Also will it create a new ener.edr file, a new md.log and topol.tpr file which
will represent the complete simulation?

Any advice on creating one trr file would be most grateful.
Thank you in advance.


More information about the gromacs.org_gmx-users mailing list