Hi Gromacs Users. I has been a simulation with gromacs 2016 but my simulation stopped by an energy break. i try to restar in the last checkpoint but this does work and send me this error: Expected output files not present or named differently: cbd211_md.log cbd211_md.xtc cbd211_md.trr cbd211_md.edr Fatal error: File appending requested, but 4 of the 4 output files are not present or are named differently. For safety reasons, GROMACS-2016 and later only allows file appending to be used when all files have the same names as they had in the original run. Checkpointing is merely intended for plain continuation of runs. For safety reasons you must specify all file names (e.g. with -deffnm), and all these files must match the names used in the run prior to checkpointing since we will append to them by default. If the files are not available, you can add the -noappend flag to mdrun and write separate new parts. For mere concatenation of files, you should use the gmx trjcat tool instead.
I used this command: gmx mdrun -s cbd211_md.tpr -cpi cbd211_md.cpt -v All the archives ar in the directory.... Can you help me? Thanks -- *MSc. MARIO ANDRÉS RODRÍGUEZ PINEDA* *Estudiante Doctorado en Biotecnología* *UNAL- MEDELLÍN * -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
