[gmx-users] Extending simulation

RAHUL SURESH drrahulsuresh at gmail.com
Fri Apr 7 10:54:20 CEST 2017

I want to extend my simulation for another 15ns. Previously generated files
are md.log, md.xtc, md.edr and md.tpr.

I used the following commands

*gmx convert-tpr -s md.tpr -extend 15000 -o 25nsmd.tpr*

*gmx mdrun -s 25nsmd.tpr -cpi md.cpt*
I get the following error

*Fatal error:File appending requested, but 2 of the 3 output files are not
present or arenamed differently. For safety reasons, GROMACS-2016 and later
only allows fileappending to be used when all files have the same names as
they had in theoriginal run. Checkpointing is merely intended for plain
continuation of runs.For safety reasons you must specify all file names
(e.g. with -deffnm), andall these files must match the names used in the
run prior to checkpointingsince we will append to them by default. If the
files are not available, youcan add the -noappend flag to mdrun and write
separate new parts. For mereconcatenation of files, you should use the gmx
trjcat tool instead.*
The 2 file missing are

Here I haven't changed any file name then why do i get this error?

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