[gmx-users] can mdrun append output files without the proper .cpt?

Alex Marshall amarsh59 at uwo.ca
Fri Jan 27 21:09:49 CET 2012

Hi all,
I was trying to extend my simulation but I used the wrong .tpr file when I
called mdrun_mpi. I didn't catch it in time and my checkpoint files were
overwritten. Now I've used GROMPP to extend the simulation (as directed in
http://www.gromacs.org/Documentation/How-tos/Extending_Simulations), but
when I use mdrun_mpi -append with the extended .tpr file, new output files
are generated anyway. Is there a way around this, or will I just have to
use trjcat or something once the new run has finished?
Alex Marshall
M.Sc. Candidate
Department of Applied Mathematics
The University of Western Ontario
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