[gmx-users] problem to continue MD run

Williams Miranda williams.miranda at ucalgary.ca
Thu May 12 22:42:05 CEST 2016

This is the command line I am using:

mpiexec mdrun_mpi -v -s step7_production.tpr  -cpi step7_production.cpt -deffnm step7_production

and this is the error I get:

Output file appending has been requested,
but some output files listed in the checkpoint file step7_production.cpt
are not present or are named differently by the current program:
output files present: step7_production.log step7_production.xtc step7_production.edr
output files not present or named differently: step7_production.trr

Program mdrun_mpi, VERSION 5.0.6
Source code file: /RQusagers/rqchpbib/stubbsda/gromacs-5.0.6/src/gromacs/gmxlib/checkpoint.c, line: 2640

Fatal error:
File appending requested, but 1 of the 4 output files are not present or are named differently
For more information and tips for troubleshooting, please check the GROMACS

Is it there any way I can continue the simulation without the *trr file?

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