[gmx-users] Extending simulations

Carla Jamous carlajamous at gmail.com
Wed Mar 17 13:53:03 CET 2010


Hi everyone,

It's the first I use the process of extending simulations.
I did the following:
tpbconv -s prot.tpr -extend 6000 -o protein.tpr

mdrun -v -s protein.tpr -cpi state.cpt -cpo state_a.cpt -o protein.trr -c
protein.gro -x protein.xtc -e md.edr -g md.log

But I noticed sthg strange: gromacs named my files:
protein.part0002.gro/.xtc/.trr/.log/.edr

Please does anyone know why it did this?

Thanks
Carla
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