[gmx-users] Recovery simulation error

[Mario Andres Rodriguez Pineda]

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 *