[gmx-users] tpr file

Carla Jamous carlajamous at gmail.com
Tue May 25 14:53:08 CEST 2010


Hi everyone,


please I have an important question:
When I continue my simulation, I do: tpbconv -s .tpr -extend    -s .tpr
                                                            mdrun -v -s .tpr
-cpi .cpt -cpo .cpt -o .trr -c .gro -x .xtc -e .edr -g .log

At one point of my simulation, I had a problem, the directory that contains
all my topology and parameter files  has been deleted.

So does it affect my simulation? Does gromacs need the topology and
parameters at each step or does it stock all of these in the .tpr file?

Thank you

Carla
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