[gmx-users] rerun problem

Mark Abraham Mark.Abraham at anu.edu.au
Sat Feb 25 14:44:52 CET 2012

On 25/02/2012 9:07 PM, ahmet yıldırım wrote:
> Dear users,
> I am using Gromacs 4.5.4. I rerun the simulation using the following 
> command:
> mdrun -s protein-RUN.tpr -cpi protein-RUN.cpt -append
> Unfortunately remaining output didnt append to existing files 
> (protein-RUN.xtc, protein-RUN.edr,
> protein-RUN.log). On the contrary remaining output appended to new 
> files (traj.xtc, ener.edr, md.log).

You told mdrun on the command line to use the default filenames, so it 
did. Either specify the files you want appended, or use -deffnm 
suitably. Note that -deffnm cannot supply a name for -cpi.


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