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. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
