Hi all, I was trying to extend my simulation but I used the wrong .tpr file when I called mdrun_mpi. I didn't catch it in time and my checkpoint files were overwritten. Now I've used GROMPP to extend the simulation (as directed in http://www.gromacs.org/Documentation/How-tos/Extending_Simulations), but when I use mdrun_mpi -append with the extended .tpr file, new output files are generated anyway. Is there a way around this, or will I just have to use trjcat or something once the new run has finished? Thanks. -- Alex Marshall M.Sc. Candidate Department of Applied Mathematics The University of Western Ontario
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