On Wednesday 17 March 2010 13:53:03 Carla Jamous wrote: > 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 >
This is OK - if you don't use "-append" in mdrun command, it will produce another files as the continuation of the simulation - and the "partxxxx" is just to have the order in them. At the end, you can use eneconv and trjcat to get it in one peace. Milan -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
