[gmx-users] error when trying to continue a simulation

[Sudharsan Sridharan]

Hi all,

Can someone please help me with continuing a simulation.

I did a 150 ns simulation and wanted to set up a test extension by 100 ps.
I used the following commands and got some error messages

tpbconv_mpi -s md.tpr -extend 100 -o next.tpr

and

mpirun -np 32 mdrun_mpi -s next.tpr -cpi md.cpt

but I get the following error
---------------
Fatal error:
File appending requested, but only 1 of the 4 output files are present
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
------------------

So I used the following commands

tpbconv_mpi -s md.tpr -f md.trr -e md.edr -extend 100 -o next.tpr

and

mpirun -np 32 mdrun_mpi -s next.tpr -cpi md.cpt


but keep getting the same error.

Can someone please let me know what I'm doing wrong. I'd like to eventually
extend the simulation by 50 ns.

Thanks for your help.

Kind regards,
Sid.